12
uracil_000_000
C      -1.292872000    -0.347851000     0.000000000
O      -2.311603000    -1.005537000     0.000000000
C      -1.201442000     1.107943000    -0.000001000
C       0.004912000     1.704854000    -0.000000000
N       1.172871000     0.984956000     0.000002000
C       1.222322000    -0.407147000     0.000002000
O       2.261352000    -1.026736000    -0.000001000
N      -0.033764000    -0.983705000    -0.000000000
H      -2.120349000     1.674809000    -0.000003000
H       0.127672000     2.781541000    -0.000002000
H       2.071165000     1.441284000    -0.000001000
H      -0.047749000    -1.995001000    -0.000001000
14
uracil_000_001
C       1.030965000    -1.097130000    -0.000002000
O       1.929379000    -1.916303000     0.000013000
C      -0.383906000    -1.363622000    -0.000009000
C      -1.287532000    -0.341383000    -0.000022000
N      -2.638034000    -0.508860000    -0.000158000
N      -0.850265000     0.966009000    -0.000005000
C       0.492329000     1.351527000     0.000005000
O       0.818571000     2.518387000     0.000001000
N       1.354929000     0.285963000     0.000016000
H      -0.704515000    -2.395098000     0.000002000
H      -3.024867000    -1.434506000     0.000391000
H      -3.274276000     0.266496000     0.000778000
H      -1.497664000     1.738599000    -0.000113000
H       2.340173000     0.509700000     0.000026000
15
uracil_000_002
C      -1.003122000    -1.141160000    -0.000002000
O      -1.843990000    -2.016514000     0.000002000
C       0.439870000    -1.332021000    -0.000002000
C       1.282330000    -0.276195000    -0.000003000
C       2.777253000    -0.384834000     0.000002000
N       0.778376000     1.007418000    -0.000001000
C      -0.575833000     1.329320000     0.000000000
O      -0.976221000     2.471824000     0.000001000
N      -1.389097000     0.214588000     0.000000000
H       0.808247000    -2.347449000    -0.000002000
H       3.088179000    -1.429749000    -0.000038000
H       3.202510000     0.104603000     0.883803000
H       3.202523000     0.104677000    -0.883752000
H       1.395975000     1.804504000    -0.000003000
H      -2.383693000     0.396221000     0.000002000
12
uracil_000_003
C       1.184829000    -0.910184000     0.000000000
O       2.202046000    -1.568467000     0.000001000
C      -0.174655000    -1.430344000    -0.000001000
C      -1.196770000    -0.560160000    -0.000001000
F      -2.464231000    -0.924999000     0.000002000
N      -1.034711000     0.795631000    -0.000003000
C       0.220462000     1.412999000    -0.000004000
O       0.350645000     2.613649000     0.000004000
N       1.254983000     0.502267000    -0.000001000
H      -0.335107000    -2.496864000     0.000002000
H      -1.839297000     1.404182000    -0.000002000
H       2.185844000     0.897073000     0.000003000
14
uracil_001_000
C      -0.709905000     0.861151000    -0.003687000
O      -1.477917000     1.806797000     0.020045000
C      -1.150122000    -0.542321000    -0.016138000
N      -2.529514000    -0.726418000    -0.087461000
C      -0.210419000    -1.512254000    -0.006954000
N       1.144946000    -1.212467000     0.010488000
C       1.663285000     0.063090000     0.000501000
O       2.849067000     0.316586000     0.006850000
N       0.669685000     1.037367000    -0.013513000
H      -3.010009000     0.138568000     0.131898000
H      -2.890426000    -1.508122000     0.439927000
H      -0.451670000    -2.567646000    -0.012463000
H       1.830124000    -1.950258000     0.020599000
H       0.999924000     1.993025000    -0.004049000
16
uracil_001_001
C      -0.309209000    -1.321132000    -0.001381000
O      -0.766370000    -2.451213000    -0.033364000
C      -1.088191000    -0.104787000     0.022591000
N      -2.515157000    -0.147901000     0.000401000
C      -0.458879000     1.106973000    -0.001216000
N      -1.146920000     2.295923000     0.030787000
N       0.917258000     1.182143000    -0.005308000
C       1.766518000     0.077827000     0.004720000
O       2.972544000     0.189191000     0.033868000
N       1.088050000    -1.119535000    -0.024284000
H      -2.802451000    -0.975764000    -0.516097000
H      -2.885757000    -0.277273000     0.939762000
H      -2.129954000     2.145335000    -0.170929000
H      -0.738892000     3.059670000    -0.490695000
H       1.383509000     2.069036000     0.107743000
H       1.660093000    -1.952536000    -0.033275000
17
uracil_001_002
C       0.228187000    -1.344933000     0.009350000
O       0.655757000    -2.487251000     0.019141000
C       1.083121000    -0.155191000    -0.001203000
N       2.469457000    -0.393237000     0.040283000
C       0.517387000     1.076532000     0.011342000
C       1.303211000     2.350569000     0.044107000
N      -0.866686000     1.201440000    -0.019140000
C      -1.766396000     0.155179000    -0.010725000
O      -2.970070000     0.301598000    -0.024843000
N      -1.140098000    -1.082130000     0.016807000
H       2.620674000    -1.397721000     0.027201000
H       2.977404000     0.032329000    -0.725107000
H       2.300142000     2.157309000     0.445836000
H       0.812221000     3.097758000     0.677038000
H       1.415435000     2.788236000    -0.955963000
H      -1.288551000     2.116723000    -0.028740000
H      -1.754581000    -1.884866000     0.022474000
14
uracil_001_003
C       0.417702000     1.270589000    -0.001751000
O       0.980862000     2.349949000     0.025577000
C       1.129881000    -0.006962000    -0.019754000
N       2.524256000     0.042271000    -0.097326000
C       0.381665000    -1.125705000    -0.008201000
F       0.907831000    -2.344528000     0.004345000
N      -0.995676000    -1.123923000     0.010142000
C      -1.759709000     0.031233000    -0.000262000
O      -2.969986000     0.033500000     0.004376000
N      -0.976756000     1.175226000    -0.013567000
H       2.842896000     0.975867000     0.136800000
H       2.996172000    -0.662536000     0.452628000
H      -1.493851000    -2.000435000     0.020056000
H      -1.482719000     2.050314000    -0.003138000
15
uracil_002_000
C      -0.672367000     0.900636000    -0.000018000
O      -1.370222000     1.895608000    -0.000065000
C      -1.157327000    -0.484912000    -0.000026000
C      -2.645221000    -0.719521000     0.000083000
C      -0.240556000    -1.474261000    -0.000058000
N       1.115152000    -1.242418000    -0.000048000
C       1.682155000     0.024546000     0.000020000
O       2.877143000     0.218002000     0.000073000
N       0.727642000     1.024774000     0.000005000
H      -3.153019000     0.246341000    -0.002513000
H      -2.970797000    -1.274947000     0.885667000
H      -2.970182000    -1.279597000    -0.882773000
H      -0.521504000    -2.521842000    -0.000112000
H       1.774081000    -2.004508000    -0.000071000
H       1.086382000     1.970246000     0.000024000
17
uracil_002_001
C      -0.293433000    -1.324560000     0.000005000
O      -0.718667000    -2.467236000    -0.000051000
C      -1.090698000    -0.117175000     0.000018000
C      -2.589518000    -0.240134000     0.000045000
C      -0.456415000     1.094392000     0.000029000
N      -1.113153000     2.287582000     0.000381000
N       0.922341000     1.176953000    -0.000000000
C       1.778837000     0.079460000    -0.000026000
O       2.984527000     0.203551000     0.000035000
N       1.105417000    -1.115951000    -0.000053000
H      -2.846835000    -1.300669000    -0.000014000
H      -3.050132000     0.216726000    -0.886353000
H      -3.050089000     0.216647000     0.886494000
H      -2.115861000     2.300948000    -0.001137000
H      -0.629469000     3.166139000    -0.001783000
H       1.394705000     2.067367000     0.000254000
H       1.675929000    -1.949666000    -0.000061000
18
uracil_002_002
C      -0.227505000    -1.351750000     0.000015000
O      -0.620991000    -2.503193000    -0.000002000
C      -1.083427000    -0.159666000    -0.000003000
C      -2.573211000    -0.391956000    -0.000006000
C      -0.498228000     1.063605000    -0.000005000
C      -1.237500000     2.369535000     0.000010000
N       0.879542000     1.191244000    -0.000016000
C       1.780947000     0.138382000    -0.000009000
O       2.982372000     0.293900000     0.000006000
N       1.151014000    -1.088892000     0.000003000
H      -2.753455000    -1.467903000    -0.000044000
H      -3.059633000     0.033560000    -0.884362000
H      -3.059626000     0.033494000     0.884386000
H      -2.315380000     2.217672000    -0.000094000
H      -0.972756000     2.962588000    -0.883427000
H      -0.972916000     2.962475000     0.883572000
H       1.305461000     2.105141000    -0.000006000
H       1.756916000    -1.898049000     0.000008000
15
uracil_002_003
C       0.370738000     1.294334000     0.000001000
O       0.862363000     2.404784000    -0.000002000
C       1.119325000     0.037141000    -0.000002000
C       2.622743000     0.063445000     0.000007000
C       0.395939000    -1.096232000    -0.000005000
F       0.951843000    -2.296986000     0.000007000
N      -0.971477000    -1.150071000    -0.000020000
C      -1.775569000    -0.011366000    -0.000012000
O      -2.983039000    -0.062241000     0.000021000
N      -1.031620000     1.149781000    -0.000006000
H       2.947954000     1.104744000    -0.000049000
H       3.039043000    -0.431575000    -0.883008000
H       3.039033000    -0.431473000     0.883084000
H      -1.442896000    -2.041751000     0.000001000
H      -1.561697000     2.010671000     0.000010000
12
uracil_003_000
C       0.757665000     0.883763000    -0.000004000
O       1.513148000     1.828449000    -0.000003000
C       1.146106000    -0.527859000    -0.000001000
F       2.445818000    -0.796318000    -0.000001000
C       0.225464000    -1.505597000    -0.000002000
N      -1.120039000    -1.210711000     0.000008000
C      -1.631564000     0.079430000     0.000009000
O      -2.815866000     0.324502000    -0.000012000
N      -0.637114000     1.047606000     0.000011000
H       0.498545000    -2.552773000    -0.000007000
H      -1.809530000    -1.945087000    -0.000012000
H      -0.965583000     2.004431000     0.000004000
14
uracil_003_001
C      -0.249752000     1.368252000     0.000002000
O      -0.624508000     2.522369000     0.000030000
C      -1.072546000     0.189751000    -0.000031000
F      -2.411274000     0.326128000    -0.000003000
C      -0.552640000    -1.069778000    -0.000036000
N      -1.326922000    -2.184993000    -0.000198000
N       0.816834000    -1.230427000    -0.000008000
C       1.734781000    -0.179616000    -0.000002000
O       2.930199000    -0.372906000     0.000005000
N       1.134372000     1.057823000     0.000018000
H      -2.324824000    -2.073949000     0.000490000
H      -0.940673000    -3.109983000     0.001089000
H       1.233733000    -2.148030000    -0.000146000
H       1.758656000     1.852632000     0.000037000
15
uracil_003_002
C      -0.136515000     1.395567000    -0.000003000
O      -0.453288000     2.564202000     0.000001000
C      -1.054336000     0.259550000    -0.000001000
F      -2.355573000     0.548598000     0.000002000
C      -0.624606000    -1.018681000    -0.000001000
C      -1.533866000    -2.206988000     0.000000000
N       0.737259000    -1.264209000    -0.000001000
C       1.725512000    -0.290718000     0.000002000
O       2.908188000    -0.547612000     0.000001000
N       1.208995000     0.994558000    -0.000001000
H      -2.574404000    -1.885040000    -0.000025000
H      -1.358299000    -2.829058000     0.884982000
H      -1.358264000    -2.829088000    -0.884954000
H       1.079446000    -2.212492000    -0.000003000
H       1.891570000     1.740757000     0.000001000
12
uracil_003_003
C      -0.399254000     1.315565000    -0.000001000
O      -0.904933000     2.414192000     0.000002000
C      -1.124142000     0.049808000     0.000001000
F      -2.449942000     0.080845000    -0.000001000
C      -0.444687000    -1.112437000     0.000001000
F      -1.025839000    -2.293078000    -0.000001000
N       0.924631000    -1.159358000     0.000001000
C       1.734247000    -0.023954000     0.000003000
O       2.940332000    -0.080436000    -0.000002000
N       0.999429000     1.147548000    -0.000001000
H       1.392657000    -2.053149000     0.000006000
H       1.540786000     2.001980000    -0.000004000
11
1H_2pyramidinone_0_0_0
C      -1.007188000    -1.195480000    -0.000007000
C      -1.777250000     0.001172000    -0.000015000
C      -1.070415000     1.164685000    -0.000010000
N       0.278898000     1.114137000     0.000025000
C       1.037203000    -0.089532000     0.000074000
O       2.245153000    -0.023646000    -0.000055000
N       0.295791000    -1.263062000     0.000011000
H      -1.532722000    -2.151633000    -0.000005000
H      -2.857297000    -0.011341000    -0.000038000
H      -1.521651000     2.150769000    -0.000034000
H       0.833525000     1.958782000     0.000009000
13
1H_2pyramidinone_0_0_1
C      -0.283167000     1.695655000     0.000016000
C       1.030404000     1.197221000    -0.000011000
C       1.167219000    -0.180018000    -0.000040000
N       2.355450000    -0.834096000    -0.000302000
N       0.030071000    -0.914302000    -0.000010000
C      -1.300839000    -0.375076000     0.000029000
O      -2.221673000    -1.162901000    -0.000009000
N      -1.395546000     0.994631000     0.000038000
H      -0.412768000     2.778697000     0.000042000
H       1.892343000     1.849133000    -0.000020000
H       3.213570000    -0.313716000     0.000886000
H       2.411355000    -1.836483000     0.001248000
H       0.057359000    -1.924749000    -0.000131000
14
1H_2pyramidinone_0_0_2
C       0.389098000     1.699491000    -0.000017000
C      -0.956257000     1.244668000    -0.000034000
C      -1.153605000    -0.107958000    -0.000034000
C      -2.490332000    -0.784898000    -0.000003000
N      -0.050633000    -0.896489000     0.000038000
C       1.293918000    -0.432972000     0.000171000
O       2.192473000    -1.244285000    -0.000112000
N       1.453736000     0.944138000     0.000022000
H       0.570276000     2.775483000    -0.000008000
H      -1.788111000     1.934606000    -0.000078000
H      -3.295366000    -0.049044000    -0.000841000
H      -2.603469000    -1.422459000     0.884000000
H      -2.602854000    -1.423840000    -0.883081000
H      -0.138908000    -1.903993000    -0.000018000
11
1H_2pyramidinone_0_0_3
C       0.174595000     1.698433000    -0.000015000
C      -1.129859000     1.133128000    -0.000003000
C      -1.154199000    -0.225410000     0.000002000
F      -2.259703000    -0.941217000    -0.000026000
N      -0.014949000    -0.934348000     0.000044000
C       1.290372000    -0.337007000     0.000116000
O       2.255412000    -1.061200000    -0.000079000
N       1.305725000     1.046271000    -0.000002000
H       0.253534000     2.785597000    -0.000030000
H      -2.033588000     1.721964000    -0.000025000
H      -0.046808000    -1.945336000     0.000020000
13
1H_2pyramidinone_0_1_0
C      -0.560064000    -1.170171000    -0.000062000
C      -1.336283000     0.035722000    -0.000081000
N      -2.716289000    -0.021311000    -0.000397000
C      -0.599452000     1.185999000    -0.000031000
N       0.764122000     1.103522000     0.000002000
C       1.503788000    -0.090191000     0.000081000
O       2.717352000    -0.060961000     0.000038000
N       0.736389000    -1.252190000     0.000001000
H      -1.104845000    -2.118857000    -0.000115000
H      -3.186927000    -0.905576000     0.001688000
H      -3.278027000     0.808101000     0.001494000
H      -1.028638000     2.180992000    -0.000060000
H       1.322136000     1.944725000    -0.000000000
15
1H_2pyramidinone_0_1_1
C      -0.043630000    -1.532341000    -0.001967000
C      -1.062032000    -0.561874000     0.007802000
N      -2.472295000    -0.815713000    -0.015196000
C      -0.636064000     0.760633000     0.005370000
N      -1.508254000     1.804630000     0.049956000
N       0.696187000     0.991151000     0.004220000
C       1.707190000    -0.025207000    -0.000979000
O       2.865681000     0.331585000     0.006662000
N       1.253979000    -1.322901000    -0.014505000
H      -0.354850000    -2.580308000    -0.013016000
H      -2.717768000    -1.499594000    -0.723219000
H      -2.811373000    -1.171139000     0.873960000
H      -2.461878000     1.523456000    -0.139320000
H      -1.220251000     2.694153000    -0.326055000
H       1.060571000     1.933326000     0.041674000
16
1H_2pyramidinone_0_1_2
C       0.017974000    -1.551537000    -0.013715000
C      -1.042123000    -0.600561000    -0.000926000
N      -2.413072000    -0.977012000    -0.033255000
C      -0.661650000     0.718946000    -0.013469000
C      -1.618513000     1.869066000    -0.036226000
N       0.671659000     0.985827000     0.008795000
C       1.712767000     0.026658000     0.007017000
O       2.866254000     0.399514000     0.030467000
N       1.296315000    -1.295289000    -0.025302000
H      -0.258653000    -2.610001000    -0.029224000
H      -2.517277000    -1.954693000    -0.278565000
H      -2.879418000    -0.834283000     0.856622000
H      -2.570564000     1.540948000    -0.457976000
H      -1.223608000     2.697408000    -0.632730000
H      -1.808440000     2.250023000     0.974826000
H       0.992887000     1.944368000     0.015552000
13
1H_2pyramidinone_0_1_3
C      -0.102965000    -1.522377000    -0.021150000
C      -1.118168000    -0.520293000    -0.007668000
N      -2.490773000    -0.840513000    -0.082948000
C      -0.621961000     0.747307000     0.004823000
F      -1.396576000     1.823456000     0.010717000
N       0.705697000     0.984305000    -0.009418000
C       1.692707000    -0.044173000     0.004755000
O       2.862989000     0.260184000     0.015010000
N       1.187148000    -1.333438000    -0.000806000
H      -0.440428000    -2.560359000    -0.045252000
H      -2.775722000    -1.488984000     0.642188000
H      -3.074725000    -0.015443000    -0.027570000
H       1.043965000     1.936949000    -0.018250000
14
1H_2pyramidinone_0_2_0
C      -0.529653000    -1.176996000    -0.000039000
C      -1.312168000     0.017395000    -0.000016000
C      -2.818708000    -0.007538000     0.000075000
C      -0.577701000     1.168099000    -0.000033000
N       0.772697000     1.108785000    -0.000049000
C       1.525267000    -0.094539000    -0.000055000
O       2.734750000    -0.038213000     0.000121000
N       0.771865000    -1.258510000    -0.000041000
H      -1.064016000    -2.130213000    -0.000100000
H      -3.181907000    -1.038946000    -0.001269000
H      -3.238931000     0.487001000    -0.882312000
H      -3.238807000     0.484631000     0.883855000
H      -1.017481000     2.160521000    -0.000046000
H       1.328989000     1.952261000    -0.000053000
16
1H_2pyramidinone_0_2_1
C       0.050720000    -1.525820000    -0.000014000
C       1.067241000    -0.551016000    -0.000003000
C       2.531102000    -0.894062000     0.000020000
C       0.615241000     0.762240000     0.000006000
N       1.437868000     1.841998000     0.000102000
N      -0.721983000     0.975362000    -0.000013000
C      -1.722214000    -0.050829000    -0.000056000
O      -2.884130000     0.296106000     0.000047000
N      -1.250340000    -1.338832000    -0.000017000
H       0.371678000    -2.570246000    -0.000008000
H       2.662509000    -1.979429000     0.000013000
H       3.056556000    -0.509375000     0.885086000
H       3.056590000    -0.509367000    -0.885024000
H       2.432823000     1.713415000    -0.000314000
H       1.083230000     2.781237000    -0.000384000
H      -1.101699000     1.912143000     0.000037000
17
1H_2pyramidinone_0_2_2
C      -0.000196000    -1.547985000    -0.000026000
C      -1.048551000    -0.580654000     0.000014000
C      -2.494672000    -1.007937000     0.000027000
C      -0.632291000     0.727604000     0.000009000
C      -1.529113000     1.930065000    -0.000022000
N       0.704281000     0.970170000    -0.000009000
C       1.727501000    -0.010872000     0.000074000
O       2.886385000     0.342838000     0.000002000
N       1.284260000    -1.322567000    -0.000041000
H      -0.294134000    -2.600582000    -0.000082000
H      -2.560947000    -2.099459000    -0.000330000
H      -3.037438000    -0.652221000    -0.882935000
H      -3.037246000    -0.652812000     0.883351000
H      -2.580059000     1.643394000     0.000448000
H      -1.342284000     2.551101000    -0.883584000
H      -1.341632000     2.551633000     0.883024000
H       1.046797000     1.921696000    -0.000017000
14
1H_2pyramidinone_0_2_3
C      -0.115197000    -1.510898000    -0.000012000
C      -1.114450000    -0.494363000     0.000001000
C      -2.592676000    -0.770264000     0.000014000
C      -0.587165000     0.761319000    -0.000004000
F      -1.330434000     1.853386000    -0.000008000
N       0.738487000     0.975200000    -0.000002000
C       1.709565000    -0.077661000     0.000023000
O       2.881789000     0.212782000     0.000005000
N       1.181061000    -1.354599000    -0.000012000
H      -0.467434000    -2.544408000    -0.000030000
H      -2.770377000    -1.848775000    -0.000346000
H      -3.088565000    -0.351397000    -0.881823000
H      -3.088446000    -0.352013000     0.882214000
H       1.097126000     1.920857000    -0.000007000
11
1H_2pyramidinone_0_3_0
C       0.586551000    -1.195622000     0.000003000
C       1.327087000     0.014922000     0.000001000
F       2.661400000    -0.010909000    -0.000034000
C       0.636145000     1.182928000    -0.000004000
N      -0.717832000     1.115180000     0.000042000
C      -1.466840000    -0.090698000     0.000136000
O      -2.675108000    -0.041269000    -0.000110000
N      -0.713855000    -1.261321000     0.000016000
H       1.141218000    -2.134977000     0.000003000
H       1.105694000     2.158754000    -0.000047000
H      -1.274507000     1.958354000     0.000001000
13
1H_2pyramidinone_0_3_1
C       0.001200000    -1.558516000     0.000026000
C      -1.026479000    -0.617882000    -0.000033000
F      -2.330698000    -0.965087000     0.000010000
C      -0.700052000     0.725301000    -0.000057000
N      -1.627039000     1.709598000    -0.000350000
N       0.622662000     1.011488000    -0.000019000
C       1.681304000     0.035866000    -0.000002000
O       2.820188000     0.449231000     0.000012000
N       1.288442000    -1.279817000     0.000046000
H      -0.279918000    -2.612152000     0.000080000
H      -2.599047000     1.456224000     0.000941000
H      -1.378021000     2.681638000     0.001599000
H       0.947474000     1.968719000    -0.000149000
14
1H_2pyramidinone_0_3_2
C      -0.070609000    -1.577072000    -0.000006000
C       1.000953000    -0.653005000     0.000003000
F       2.265201000    -1.097753000    -0.000033000
C       0.722591000     0.681578000    -0.000008000
C       1.749391000     1.768738000    -0.000013000
N      -0.597663000     1.010634000     0.000046000
C      -1.682724000     0.095309000     0.000165000
O      -2.815926000     0.520349000    -0.000121000
N      -1.332117000    -1.249352000     0.000015000
H       0.175907000    -2.639746000    -0.000009000
H       2.751207000     1.340097000    -0.000940000
H       1.639964000     2.404976000     0.885097000
H       1.638757000     2.406130000    -0.884133000
H      -0.874386000     1.983260000    -0.000023000
11
1H_2pyramidinone_0_3_3
C       0.093523000    -1.539358000    -0.000002000
C       1.100551000    -0.546322000     0.000007000
F       2.395839000    -0.858055000    -0.000021000
C       0.671312000     0.746646000     0.000010000
F       1.471860000     1.787244000    -0.000020000
N      -0.650003000     1.000836000     0.000045000
C      -1.663491000    -0.013543000     0.000107000
O      -2.822148000     0.322281000    -0.000087000
N      -1.192158000    -1.316110000     0.000003000
H       0.423640000    -2.578631000    -0.000018000
H      -0.971995000     1.960061000     0.000017000
13
1H_2pyramidinone_1_0_0
C       1.128368000    -0.253371000     0.000069000
N       2.349430000    -0.842535000    -0.000227000
C       1.050031000     1.183912000    -0.000018000
C      -0.198940000     1.709890000     0.000026000
N      -1.276275000     0.894200000     0.000008000
C      -1.186869000    -0.529920000    -0.000080000
O      -2.217420000    -1.170199000     0.000009000
N       0.080412000    -1.050390000     0.000054000
H       3.199341000    -0.310366000     0.000699000
H       2.389759000    -1.847537000     0.000473000
H       1.930248000     1.811209000    -0.000127000
H      -0.394119000     2.776518000     0.000031000
H      -2.216386000     1.259767000     0.000031000
15
1H_2pyramidinone_1_0_1
C      -1.201709000    -0.598612000     0.000003000
N      -2.394591000    -1.249020000     0.000010000
C      -0.000365000    -1.360673000    -0.000032000
C       1.178003000    -0.652099000    -0.000086000
N       2.412842000    -1.223316000    -0.000586000
N       1.109167000     0.701664000    -0.000040000
C      -0.117215000     1.450185000     0.000008000
O      -0.023136000     2.661560000     0.000029000
N      -1.265919000     0.724578000     0.000057000
H      -2.458638000    -2.249359000     0.000094000
H      -3.231908000    -0.693022000     0.000190000
H      -0.002541000    -2.442062000    -0.000055000
H       2.505437000    -2.222039000     0.001785000
H       3.250320000    -0.671093000     0.002606000
H       1.939648000     1.274942000    -0.000295000
16
1H_2pyramidinone_1_0_2
C      -1.165130000    -0.705344000     0.000041000
N      -2.277169000    -1.482286000    -0.000097000
C       0.123552000    -1.341401000    -0.000052000
C       1.213360000    -0.528062000    -0.000026000
C       2.632769000    -1.010651000     0.000052000
N       1.011101000     0.813843000    -0.000033000
C      -0.270111000     1.439690000    -0.000137000
O      -0.314697000     2.652859000     0.000069000
N      -1.350038000     0.598315000     0.000038000
H      -2.229040000    -2.483804000     0.000400000
H      -3.172987000    -1.025247000     0.000320000
H       0.229112000    -2.417763000    -0.000125000
H       2.673068000    -2.100863000    -0.000421000
H       3.167042000    -0.643889000     0.883634000
H       3.167418000    -0.643099000    -0.882970000
H       1.789068000     1.457306000    -0.000010000
13
1H_2pyramidinone_1_0_3
C      -1.284586000    -0.351679000    -0.000053000
N      -2.579354000    -0.747591000    -0.000058000
C      -0.259281000    -1.359791000    -0.000003000
C       1.004436000    -0.878018000    -0.000005000
F       2.070647000    -1.656682000    -0.000005000
N       1.259343000     0.439601000     0.000019000
C       0.214690000     1.432123000     0.000068000
O       0.545210000     2.596229000    -0.000025000
N      -1.060799000     0.947489000    -0.000010000
H      -2.842500000    -1.715370000     0.000348000
H      -3.290485000    -0.036299000     0.000186000
H      -0.460336000    -2.420125000    -0.000004000
H       2.209939000     0.779793000     0.000013000
15
1H_2pyramidinone_1_1_0
C      -0.587968000     0.786325000    -0.002088000
N      -1.534347000     1.767819000    -0.013949000
C      -1.063379000    -0.581253000    -0.012576000
N      -2.464644000    -0.820661000     0.034512000
C      -0.096336000    -1.531001000     0.007961000
N       1.214265000    -1.169118000     0.033463000
C       1.663237000     0.176014000    -0.009889000
O       2.857582000     0.394587000    -0.025809000
N       0.676629000     1.132869000    -0.013143000
H      -2.444348000     1.518360000     0.343389000
H      -1.195017000     2.697823000     0.178653000
H      -2.914242000    -0.610032000    -0.852841000
H      -2.676271000    -1.783316000     0.270172000
H      -0.313395000    -2.593977000     0.016352000
H       1.945975000    -1.862432000     0.064113000
17
1H_2pyramidinone_1_1_1
C       0.282761000    -1.195242000    -0.007367000
N       0.948852000    -2.388368000    -0.062705000
C       1.045319000     0.012184000     0.005774000
N       2.474071000     0.099144000     0.019748000
C       0.316706000     1.184711000    -0.007132000
N       0.911123000     2.414383000    -0.077827000
N      -1.034969000     1.108757000     0.000954000
C      -1.774432000    -0.118535000     0.005940000
O      -2.986701000    -0.040788000     0.011223000
N      -1.037613000    -1.264207000     0.004077000
H       1.917766000    -2.420958000     0.202141000
H       0.388153000    -3.204181000     0.125787000
H       2.893699000    -0.333296000     0.837056000
H       2.904554000    -0.303463000    -0.806875000
H       1.908080000     2.370629000     0.086210000
H       0.433715000     3.190970000     0.352746000
H      -1.604736000     1.939934000    -0.059859000
18
1H_2pyramidinone_1_1_2
C       0.203955000    -1.239379000    -0.005190000
N       0.839920000    -2.440320000    -0.026122000
C       1.040232000    -0.056834000    -0.010608000
N       2.456623000    -0.242139000     0.037708000
C       0.386947000     1.140571000    -0.007966000
C       1.053156000     2.485085000    -0.001267000
N      -0.975575000     1.129641000     0.012427000
C      -1.783997000    -0.038804000    -0.003732000
O      -2.991552000     0.094481000    -0.003539000
N      -1.110070000    -1.231199000    -0.009492000
H       1.807535000    -2.446125000     0.256433000
H       0.269690000    -3.249564000     0.160025000
H       2.874818000    -0.324528000    -0.884665000
H       2.933934000     0.496700000     0.537499000
H       2.093952000     2.411765000    -0.320199000
H       1.032237000     2.933149000     0.999240000
H       0.536858000     3.171859000    -0.679717000
H      -1.494660000     1.995187000     0.030631000
15
1H_2pyramidinone_1_1_3
C       0.345424000     1.178165000     0.002386000
N       1.095710000     2.304799000     0.012526000
C       1.066297000    -0.075764000     0.013794000
N       2.491715000    -0.090033000    -0.022676000
C       0.265174000    -1.169104000     0.006755000
F       0.749179000    -2.402105000    -0.011109000
N      -1.076864000    -1.074025000    -0.008173000
C      -1.764747000     0.188643000     0.006856000
O      -2.975782000     0.171870000     0.008646000
N      -0.966424000     1.296477000     0.007204000
H       2.072543000     2.213701000    -0.217762000
H       0.619043000     3.174820000    -0.158221000
H       2.897017000    -0.159071000     0.906898000
H       2.842185000    -0.872180000    -0.564028000
H      -1.648991000    -1.905451000    -0.036983000
16
1H_2pyramidinone_1_2_0
C      -0.561523000     0.794937000     0.001028000
N      -1.453426000     1.824741000     0.043114000
C      -1.069238000    -0.560080000    -0.002965000
C      -2.538003000    -0.875786000     0.008170000
C      -0.108071000    -1.518980000    -0.006098000
N       1.204742000    -1.190697000    -0.004199000
C       1.680565000     0.149622000     0.000953000
O       2.879055000     0.341915000     0.003002000
N       0.712562000     1.119783000    -0.002936000
H      -2.415240000     1.676669000    -0.205524000
H      -1.069089000     2.745856000    -0.095569000
H      -3.041712000    -0.448091000     0.883966000
H      -2.702529000    -1.956627000     0.030844000
H      -3.052490000    -0.491245000    -0.882989000
H      -0.344053000    -2.578210000    -0.008087000
H       1.923148000    -1.898737000    -0.005041000
18
1H_2pyramidinone_1_2_1
C       0.287594000     1.187336000     0.006826000
N       0.956314000     2.386174000    -0.016966000
C       1.051998000    -0.025211000    -0.005790000
C       2.556553000    -0.020558000    -0.068093000
C       0.301459000    -1.179682000     0.022409000
N       0.820556000    -2.453380000     0.110267000
N      -1.052932000    -1.087104000     0.010925000
C      -1.782136000     0.139701000    -0.017168000
O      -2.995289000     0.076558000    -0.032116000
N      -1.029842000     1.274648000    -0.003961000
H       1.879918000     2.436675000     0.378308000
H       0.362269000     3.184743000     0.148817000
H       2.914690000     0.800181000    -0.698386000
H       2.956028000    -0.935838000    -0.519261000
H       3.036221000     0.083670000     0.915073000
H       1.809116000    -2.536996000    -0.064485000
H       0.281494000    -3.184929000    -0.329695000
H      -1.628915000    -1.911849000     0.095592000
19
1H_2pyramidinone_1_2_2
C      -0.258708000    -1.213105000    -0.004288000
N      -0.912194000    -2.412565000     0.034889000
C      -1.048058000     0.000512000    -0.006000000
C      -2.551154000    -0.079142000     0.030437000
C      -0.325757000     1.161165000    -0.016606000
C      -0.885265000     2.556846000    -0.009404000
N       1.033207000     1.084221000    -0.011974000
C       1.787590000    -0.117005000     0.006080000
O       2.999996000    -0.042569000     0.018081000
N       1.054582000    -1.272144000    -0.003618000
H      -1.871464000    -2.475895000    -0.256587000
H      -0.330200000    -3.221624000    -0.116487000
H      -2.894377000    -0.676746000     0.883874000
H      -2.962623000    -0.544260000    -0.876382000
H      -3.017943000     0.901980000     0.122368000
H      -1.929546000     2.587088000    -0.316148000
H      -0.315430000     3.196014000    -0.691685000
H      -0.811038000     2.996579000     0.992033000
H       1.591614000     1.925200000    -0.022033000
16
1H_2pyramidinone_1_2_3
C       0.341513000     1.164792000    -0.000015000
N       1.061169000     2.318727000     0.037125000
C       1.065633000    -0.085551000    -0.002902000
C       2.564757000    -0.181866000     0.011198000
C       0.250293000    -1.168370000    -0.004165000
F       0.711313000    -2.410501000    -0.005368000
N      -1.090677000    -1.070553000    -0.001507000
C      -1.775608000     0.189750000     0.001846000
O      -2.986797000     0.180783000     0.003245000
N      -0.969754000     1.291602000    -0.002679000
H       2.039270000     2.322237000    -0.190105000
H       0.540510000     3.171118000    -0.093212000
H       2.993651000     0.327076000     0.882809000
H       3.013778000     0.264442000    -0.885845000
H       2.883189000    -1.225060000     0.047091000
H      -1.662536000    -1.902523000    -0.004720000
13
1H_2pyramidinone_1_3_0
C       0.649042000     0.764173000     0.000016000
N       1.630025000     1.693199000    -0.000056000
C       1.032203000    -0.620888000     0.000002000
F       2.338108000    -0.940157000    -0.000009000
C       0.059095000    -1.553526000     0.000007000
N      -1.234756000    -1.138836000     0.000003000
C      -1.627361000     0.229443000     0.000011000
O      -2.810884000     0.493570000    -0.000020000
N      -0.605350000     1.149773000     0.000020000
H       2.596680000     1.423772000     0.000144000
H       1.370150000     2.664586000     0.000115000
H       0.263850000    -2.616783000     0.000003000
H      -1.993891000    -1.802901000    -0.000001000
15
1H_2pyramidinone_1_3_1
C       0.294031000    -1.213602000    -0.000037000
N       0.977833000    -2.382945000    -0.000064000
C       1.026299000    -0.003745000     0.000012000
F       2.385739000    -0.008271000     0.000006000
C       0.351823000     1.187569000    -0.000009000
N       0.973911000     2.393865000    -0.000250000
N      -1.004986000     1.117892000     0.000077000
C      -1.753195000    -0.109457000     0.000325000
O      -2.964163000    -0.018406000    -0.000199000
N      -1.028340000    -1.262855000     0.000032000
H       1.980642000    -2.397966000     0.000112000
H       0.452338000    -3.239450000     0.000057000
H       1.976976000     2.424795000     0.000391000
H       0.461664000     3.255696000     0.000755000
H      -1.572640000     1.952321000    -0.000087000
16
1H_2pyramidinone_1_3_2
C       0.207440000    -1.249674000     0.000013000
N       0.833583000    -2.448054000    -0.000013000
C       1.019322000    -0.067434000    -0.000010000
F       2.362295000    -0.204596000    -0.000010000
C       0.423166000     1.147420000    -0.000007000
C       1.158892000     2.450630000     0.000020000
N      -0.940831000     1.155814000    -0.000016000
C      -1.762680000    -0.005301000    -0.000052000
O      -2.967592000     0.138740000     0.000027000
N      -1.104991000    -1.211630000     0.000011000
H       1.835026000    -2.508019000     0.000068000
H       0.270859000    -3.281190000     0.000075000
H       2.235337000     2.280804000    -0.000136000
H       0.896689000     3.041394000     0.884512000
H       0.896450000     3.041563000    -0.884287000
H      -1.445440000     2.030125000    -0.000010000
13
1H_2pyramidinone_1_3_3
C       0.437460000    -1.154777000     0.000014000
N       1.253595000    -2.230251000    -0.000032000
C       1.052341000     0.140732000    -0.000004000
F       2.388618000     0.261051000    -0.000003000
C       0.221639000     1.208188000     0.000000000
F       0.644104000     2.454651000     0.000011000
N      -1.114392000     1.023410000    -0.000012000
C      -1.726607000    -0.275877000    -0.000034000
O      -2.935088000    -0.334571000     0.000017000
N      -0.864554000    -1.339682000     0.000011000
H       2.251633000    -2.124377000     0.000087000
H       0.836882000    -3.145374000     0.000083000
H      -1.733839000     1.821061000    -0.000001000
14
1H_2pyramidinone_2_0_0
C      -1.119288000    -0.184344000    -0.000022000
C      -2.503865000    -0.782444000     0.000020000
C      -0.961973000     1.236245000    -0.000018000
C       0.312388000     1.712865000     0.000016000
N       1.343262000     0.843236000     0.000008000
C       1.187133000    -0.571012000    -0.000082000
O       2.177370000    -1.268395000     0.000049000
N      -0.116961000    -1.027960000    -0.000031000
H      -3.284371000    -0.018618000    -0.000728000
H      -2.629246000    -1.421334000     0.879157000
H      -2.628753000    -1.422650000    -0.878217000
H      -1.811149000     1.904069000    -0.000020000
H       0.562652000     2.768106000     0.000049000
H       2.301434000     1.162803000     0.000045000
16
1H_2pyramidinone_2_0_1
C      -1.246503000    -0.435194000    -0.000066000
C      -2.651725000    -0.984534000     0.000062000
C      -0.157246000    -1.330625000    -0.000062000
C       1.113824000    -0.784817000    -0.000054000
N       2.258251000    -1.514218000    -0.000337000
N       1.212198000     0.563219000     0.000008000
C       0.092193000     1.462418000     0.000040000
O       0.335371000     2.650924000     0.000011000
N      -1.145294000     0.881293000    -0.000017000
H      -2.671206000    -2.076751000    -0.000883000
H      -3.190381000    -0.615781000    -0.877902000
H      -3.189590000    -0.617401000     0.879206000
H      -0.297852000    -2.402384000    -0.000081000
H       2.213071000    -2.516701000     0.001058000
H       3.164331000    -1.082156000     0.001532000
H       2.109309000     1.028228000    -0.000112000
17
1H_2pyramidinone_2_0_2
C      -1.223579000    -0.550601000     0.000001000
C      -2.562166000    -1.246272000     0.000024000
C      -0.027112000    -1.327036000    -0.000032000
C       1.165733000    -0.661241000    -0.000011000
C       2.513838000    -1.315909000     0.000035000
N       1.125656000     0.692285000    -0.000029000
C      -0.064267000     1.471510000    -0.000132000
O       0.031690000     2.679696000     0.000081000
N      -1.246833000     0.759836000    -0.000003000
H      -2.463582000    -2.333973000    -0.000247000
H      -3.137246000    -0.939001000    -0.878434000
H      -3.136977000    -0.939437000     0.878814000
H      -0.056610000    -2.407589000    -0.000037000
H       2.415603000    -2.402213000    -0.000029000
H       3.090284000    -1.019355000     0.883523000
H       3.090395000    -1.019259000    -0.883348000
H       1.978164000     1.235697000     0.000010000
14
1H_2pyramidinone_2_0_3
C      -1.287418000    -0.245619000    -0.000028000
C      -2.761293000    -0.562070000    -0.000015000
C      -0.348704000    -1.320751000     0.000016000
C       0.958276000    -0.952238000     0.000004000
F       1.958260000    -1.811407000    -0.000043000
N       1.313579000     0.339462000     0.000051000
C       0.357702000     1.412623000     0.000190000
O       0.772278000     2.547226000    -0.000115000
N      -0.962936000     1.025177000    -0.000004000
H      -2.954291000    -1.636695000    -0.000073000
H      -3.232545000    -0.112182000    -0.878728000
H      -3.232519000    -0.112291000     0.878770000
H      -0.639128000    -2.359749000     0.000006000
H       2.290037000     0.601626000     0.000000000
16
1H_2pyramidinone_2_1_0
C      -0.613958000     0.744098000     0.001719000
C      -1.676270000     1.810041000     0.016669000
C      -1.023593000    -0.639588000    -0.005109000
N      -2.390320000    -0.979922000     0.087232000
C      -0.015684000    -1.554431000    -0.010899000
N       1.278716000    -1.133953000     0.005890000
C       1.672749000     0.216976000    -0.003121000
O       2.851880000     0.504644000    -0.005512000
N       0.631909000     1.134753000    -0.006001000
H      -2.380559000     1.641055000     0.838278000
H      -2.259988000     1.795762000    -0.913505000
H      -1.207828000     2.788487000     0.117375000
H      -2.970229000    -0.472237000    -0.570246000
H      -2.553607000    -1.972169000    -0.031874000
H      -0.181215000    -2.626330000    -0.014629000
H       2.036779000    -1.800437000     0.013305000
18
1H_2pyramidinone_2_1_1
C       0.380343000    -1.151291000    -0.003459000
C       1.230146000    -2.397941000     0.004956000
C       1.020284000     0.113710000    -0.006143000
N       2.435649000     0.347785000     0.012339000
C       0.194371000     1.227877000    -0.004502000
N       0.686911000     2.498208000    -0.054756000
N      -1.142956000     1.029570000    -0.000404000
C      -1.769849000    -0.254728000     0.001091000
O      -2.982589000    -0.293258000    -0.003442000
N      -0.925908000    -1.336610000     0.005752000
H       1.835796000    -2.457625000     0.917490000
H       1.927213000    -2.409703000    -0.840488000
H       0.583266000    -3.273338000    -0.045722000
H       2.897415000    -0.187105000     0.740628000
H       2.878750000     0.092932000    -0.865875000
H       1.681601000     2.532471000     0.129011000
H       0.135194000     3.242079000     0.342949000
H      -1.786172000     1.807922000    -0.042636000
19
1H_2pyramidinone_2_1_2
C       0.343099000    -1.187211000     0.000001000
C       1.077056000    -2.512323000     0.000007000
C       1.056118000     0.068803000    -0.000002000
N       2.444258000     0.109815000    -0.000005000
C       0.274683000     1.199708000     0.000001000
C       0.766781000     2.617383000     0.000004000
N      -1.084729000     1.044499000     0.000002000
C      -1.771304000    -0.177798000    -0.000009000
O      -2.987321000    -0.194613000     0.000000000
N      -0.959455000    -1.294839000    -0.000001000
H       2.165601000    -2.441788000     0.000054000
H       0.772776000    -3.087426000    -0.878817000
H       0.772705000    -3.087453000     0.878788000
H       2.984521000    -0.729992000    -0.000037000
H       2.942616000     0.976679000     0.000006000
H       1.854580000     2.687696000    -0.000002000
H       0.403354000     3.155361000     0.883840000
H       0.403344000     3.155368000    -0.883823000
H      -1.680045000     1.860762000     0.000007000
16
1H_2pyramidinone_2_1_3
C      -0.448167000     1.122031000     0.005176000
C      -1.368474000     2.311626000     0.020207000
C      -1.043421000    -0.186146000    -0.002325000
N      -2.442188000    -0.378896000     0.081717000
C      -0.145632000    -1.206597000    -0.007455000
F      -0.513218000    -2.482104000    -0.004579000
N       1.183897000    -0.985905000     0.007644000
C       1.753986000     0.318736000    -0.005112000
O       2.958938000     0.434907000    -0.008141000
N       0.840796000     1.354015000    -0.007618000
H      -2.113632000     2.210282000     0.815858000
H      -1.920719000     2.388225000    -0.925594000
H      -0.785236000     3.221445000     0.156924000
H      -2.942897000     0.086415000    -0.667447000
H      -2.682768000    -1.362508000     0.066265000
H       1.825419000    -1.766574000     0.025189000
17
1H_2pyramidinone_2_2_0
C      -0.581134000     0.775422000    -0.000061000
C      -1.526384000     1.955832000    -0.000056000
C      -1.053960000    -0.585599000    -0.000040000
C      -2.502318000    -1.022079000     0.000117000
C      -0.067973000    -1.531331000    -0.000075000
N       1.234224000    -1.182852000    -0.000076000
C       1.686509000     0.159827000    -0.000003000
O       2.878051000     0.384297000     0.000135000
N       0.687972000     1.109427000    -0.000032000
H      -2.581526000     1.686388000    -0.001890000
H      -1.319743000     2.576562000    -0.876580000
H      -1.322373000     2.574515000     0.878555000
H      -3.190685000    -0.177878000    -0.000243000
H      -2.738428000    -1.626771000     0.882762000
H      -2.738392000    -1.627527000    -0.882016000
H      -0.280475000    -2.596082000    -0.000098000
H       1.963410000    -1.882035000    -0.000100000
19
1H_2pyramidinone_2_2_1
C       0.279415000     1.186557000    -0.000219000
C       0.932229000     2.551747000    -0.000432000
C       1.044212000    -0.010104000     0.000088000
C       2.549753000    -0.109691000     0.000597000
C       0.302669000    -1.188258000    -0.000068000
N       0.867291000    -2.424219000     0.000042000
N      -1.046261000    -1.115092000    -0.000006000
C      -1.788870000     0.105992000     0.000510000
O      -3.000766000     0.028003000     0.000111000
N      -1.042216000     1.246777000    -0.000106000
H       2.021211000     2.536210000    -0.003368000
H       0.590680000     3.106269000     0.878378000
H       0.585904000     3.108063000    -0.876190000
H       3.026979000     0.868745000     0.002262000
H       2.928867000    -0.639907000    -0.884782000
H       2.927897000    -0.642317000     0.884925000
H       1.864871000    -2.523493000    -0.002234000
H       0.309942000    -3.259087000    -0.002209000
H      -1.618365000    -1.948228000    -0.000042000
20
1H_2pyramidinone_2_2_2
C      -0.229496000     1.218492000     0.000045000
C      -0.827001000     2.609833000     0.000259000
C      -1.043129000     0.029048000    -0.000050000
C      -2.556988000     0.032187000    -0.000354000
C      -0.350358000    -1.159514000     0.000080000
C      -0.967617000    -2.529169000     0.000189000
N       1.004332000    -1.130591000     0.000131000
C       1.793589000     0.042401000    -0.000011000
O       3.002848000    -0.057476000    -0.000274000
N       1.082951000     1.219954000     0.000011000
H      -1.914896000     2.641446000     0.001864000
H      -0.461587000     3.150158000    -0.877669000
H      -0.458955000     3.150915000     0.876600000
H      -2.962941000     1.042056000    -0.001735000
H      -2.967878000    -0.470452000     0.882633000
H      -2.967437000    -0.472599000    -0.882307000
H      -2.054999000    -2.487702000     0.000351000
H      -0.645866000    -3.093309000     0.883142000
H      -0.646111000    -3.093368000    -0.882816000
H       1.532904000    -1.992547000     0.000186000
17
1H_2pyramidinone_2_2_3
C       0.355471000     1.156858000    -0.000017000
C       1.094278000     2.475048000    -0.000155000
C       1.060748000    -0.096312000     0.000030000
C       2.555316000    -0.309094000     0.000182000
C       0.232083000    -1.179146000    -0.000064000
F       0.695739000    -2.418451000    -0.000110000
N      -1.103402000    -1.078404000    -0.000075000
C      -1.779776000     0.181983000     0.000124000
O      -2.989084000     0.191468000     0.000082000
N      -0.953107000     1.278265000     0.000009000
H       2.178904000     2.380896000    -0.001791000
H       0.790392000     3.051243000     0.878411000
H       0.787805000     3.052427000    -0.877020000
H       3.099559000     0.633900000     0.002080000
H       2.879576000    -0.872588000    -0.881327000
H       2.878831000    -0.875656000     0.879981000
H      -1.677198000    -1.910951000    -0.000146000
14
1H_2pyramidinone_2_3_0
C      -0.674718000     0.721409000    -0.000009000
C      -1.781669000     1.742091000     0.000003000
C      -0.991328000    -0.670181000    -0.000003000
F      -2.266626000    -1.080338000    -0.000003000
C       0.021341000    -1.571487000     0.000003000
N       1.292129000    -1.104515000     0.000005000
C       1.631856000     0.273232000    -0.000006000
O       2.799305000     0.595166000     0.000005000
N       0.560176000     1.151176000    -0.000012000
H      -2.767505000     1.277140000    -0.000431000
H      -1.682550000     2.384880000    -0.879198000
H      -1.683093000     2.384272000     0.879716000
H      -0.138677000    -2.642512000     0.000005000
H       2.077995000    -1.739085000     0.000009000
16
1H_2pyramidinone_2_3_1
C       0.395830000    -1.167985000    -0.000055000
C       1.244973000    -2.412090000     0.000063000
C       1.009725000     0.090368000    -0.000066000
F       2.355176000     0.250248000    -0.000002000
C       0.232257000     1.232082000    -0.000071000
N       0.760019000     2.478002000    -0.000423000
N      -1.106341000     1.043821000     0.000007000
C      -1.747737000    -0.243891000     0.000045000
O      -2.960572000    -0.259931000     0.000013000
N      -0.916588000    -1.329918000    -0.000014000
H       2.311003000    -2.182779000    -0.000852000
H       1.001891000    -3.015923000    -0.878927000
H       1.003273000    -3.014850000     0.880186000
H       1.759291000     2.577644000     0.001167000
H       0.188045000     3.302207000     0.002001000
H      -1.745438000     1.826684000    -0.000147000
17
1H_2pyramidinone_2_3_2
C       0.334700000    -1.206987000    -0.000015000
C       1.130161000    -2.486295000     0.000015000
C       1.010346000     0.046066000    -0.000013000
F       2.354879000     0.087490000    -0.000038000
C       0.292960000     1.203916000     0.000003000
C       0.891055000     2.575148000     0.000001000
N      -1.059409000     1.070128000     0.000048000
C      -1.760064000    -0.163125000     0.000075000
O      -2.972052000    -0.151953000    -0.000079000
N      -0.970756000    -1.298633000     0.000008000
H       2.204453000    -2.303087000    -0.000414000
H       0.862326000    -3.079327000    -0.878971000
H       0.862999000    -3.078876000     0.879517000
H       1.978741000     2.512979000    -0.000331000
H       0.570758000     3.136674000     0.884377000
H       0.570214000     3.136916000    -0.884022000
H      -1.650786000     1.890130000     0.000035000
14
1H_2pyramidinone_2_3_3
C       0.543885000    -1.091992000     0.000008000
C       1.539549000    -2.221471000     0.000025000
C       1.021879000     0.247944000    -0.000022000
F       2.327032000     0.537488000    -0.000018000
C       0.090286000     1.240216000    -0.000003000
F       0.389785000     2.519735000     0.000039000
N      -1.216671000     0.926586000    -0.000019000
C      -1.703373000    -0.421211000    -0.000129000
O      -2.897401000    -0.604626000     0.000064000
N      -0.730365000    -1.398202000     0.000002000
H       2.568502000    -1.862145000    -0.000146000
H       1.372415000    -2.849448000    -0.879587000
H       1.372642000    -2.849214000     0.879849000
H      -1.909809000     1.663197000     0.000027000
11
1H_2pyramidinone_3_0_0
C       1.101822000    -0.316702000     0.000073000
F       2.278543000    -0.926714000    -0.000040000
C       1.138842000     1.105191000     0.000049000
C      -0.083819000     1.700709000     0.000019000
N      -1.200502000     0.941419000    -0.000076000
C      -1.197046000    -0.482666000    -0.000130000
O      -2.248564000    -1.076206000     0.000103000
N       0.057742000    -1.067525000    -0.000012000
H       2.065426000     1.657585000     0.000087000
H      -0.224079000     2.775248000     0.000054000
H      -2.119208000     1.360788000    -0.000061000
13
1H_2pyramidinone_3_0_1
C      -1.074458000    -0.781995000    -0.000053000
F      -2.084914000    -1.645591000    -0.000064000
C       0.208837000    -1.353040000     0.000064000
C       1.253477000    -0.448723000     0.000008000
N       2.562187000    -0.799363000    -0.000327000
N       0.944486000     0.871456000     0.000141000
C      -0.388318000     1.400519000     0.000559000
O      -0.517535000     2.603305000    -0.000341000
N      -1.397586000     0.471875000     0.000016000
H       0.361781000    -2.421205000     0.000021000
H       2.821740000    -1.768945000     0.000409000
H       3.296284000    -0.114847000     0.000689000
H       1.663848000     1.580548000    -0.000093000
14
1H_2pyramidinone_3_0_2
C      -1.044478000    -0.855382000     0.000002000
F      -1.983619000    -1.792520000     0.000004000
C       0.294971000    -1.325193000    -0.000005000
C       1.258032000    -0.357512000    -0.000003000
C       2.731801000    -0.625413000     0.000006000
N       0.855717000     0.937837000    -0.000006000
C      -0.498638000     1.375227000    -0.000019000
O      -0.733942000     2.560525000     0.000012000
N      -1.445356000     0.367129000     0.000001000
H       0.527819000    -2.379032000    -0.000005000
H       2.929641000    -1.697832000    -0.000024000
H       3.205530000    -0.183958000     0.883718000
H       3.205552000    -0.183904000    -0.883666000
H       1.532907000     1.688081000    -0.000000000
11
1H_2pyramidinone_3_0_3
C       1.220683000    -0.502508000     0.000011000
F       2.409197000    -1.084156000    -0.000006000
C       0.110829000    -1.389639000     0.000006000
C      -1.086237000    -0.749094000    -0.000000000
F      -2.241069000    -1.376786000     0.000002000
N      -1.162665000     0.591787000    -0.000011000
C      -0.008374000     1.444199000    -0.000011000
O      -0.170116000     2.638239000     0.000011000
N       1.203406000     0.784953000    -0.000001000
H       0.204574000    -2.463266000     0.000011000
H      -2.063394000     1.050914000    -0.000013000
13
1H_2pyramidinone_3_1_0
C      -0.562027000    -0.772723000     0.004283000
F      -1.480587000    -1.741309000    -0.006410000
C      -1.097757000     0.555694000     0.009594000
N      -2.480284000     0.772722000     0.092261000
C      -0.136473000     1.521087000     0.002257000
N       1.182300000     1.170189000    -0.006217000
C       1.661573000    -0.153407000    -0.001358000
O       2.851283000    -0.376113000    -0.001608000
N       0.667522000    -1.125738000    -0.001617000
H      -3.010891000    -0.023300000    -0.233982000
H      -2.791450000     1.617796000    -0.367437000
H      -0.359953000     2.580975000     0.004648000
H       1.898643000     1.881097000    -0.012311000
15
1H_2pyramidinone_3_1_1
C      -0.223817000    -1.188506000     0.003422000
F      -0.867502000    -2.355766000    -0.013152000
C      -1.052368000    -0.048198000     0.011401000
N      -2.480458000    -0.036763000    -0.008311000
C      -0.366550000     1.157203000     0.003202000
N      -1.016366000     2.351031000     0.046489000
N       0.987839000     1.126079000    -0.002376000
C       1.775609000    -0.068500000     0.000408000
O       2.980688000     0.042365000     0.009509000
N       1.068405000    -1.246155000    -0.008364000
H      -2.838708000    -0.672445000    -0.713913000
H      -2.869568000    -0.344325000     0.878767000
H      -2.008997000     2.263961000    -0.130448000
H      -0.562222000     3.165782000    -0.334258000
H       1.528323000     1.978658000     0.039495000
16
1H_2pyramidinone_3_1_2
C       0.164191000    -1.214141000     0.004754000
F       0.764623000    -2.406559000     0.031604000
C       1.050196000    -0.095626000    -0.006347000
N       2.461444000    -0.230872000     0.015172000
C       0.420370000     1.121665000     0.018018000
C       1.149112000     2.428053000     0.047051000
N      -0.941801000     1.140880000    -0.000663000
C      -1.783258000     0.004120000    -0.011685000
O      -2.984910000     0.145471000    -0.037118000
N      -1.119065000    -1.211099000     0.013770000
H       2.718493000    -1.187914000     0.224014000
H       2.889186000     0.015868000    -0.871271000
H       2.154098000     2.275362000     0.444893000
H       0.620550000     3.157345000     0.668622000
H       1.241596000     2.854528000    -0.959198000
H      -1.433965000     2.023286000    -0.003234000
13
1H_2pyramidinone_3_1_3
C      -0.319117000    -1.151369000    -0.000006000
F      -1.054067000    -2.264482000    -0.000006000
C      -1.090701000     0.050509000    -0.000005000
N      -2.468946000     0.049688000    -0.000033000
C      -0.295764000     1.155785000    -0.000000000
F      -0.794796000     2.383997000    -0.000009000
N       1.056936000     1.067793000     0.000008000
C       1.765744000    -0.160767000     0.000029000
O       2.974864000    -0.159732000    -0.000012000
N       0.956877000    -1.283271000     0.000002000
H      -2.959507000    -0.822765000     0.000143000
H      -2.985037000     0.907509000     0.000141000
H       1.610358000     1.913058000    -0.000000000
14
1H_2pyramidinone_3_2_0
C      -0.526360000     0.798188000    -0.000049000
F      -1.391192000     1.808787000     0.000004000
C      -1.100148000    -0.511046000    -0.000028000
C      -2.585755000    -0.764133000     0.000029000
C      -0.158321000    -1.497219000    -0.000033000
N       1.160729000    -1.199619000     0.000024000
C       1.678635000     0.122014000     0.000083000
O       2.874779000     0.295307000    -0.000019000
N       0.719116000     1.118122000    -0.000012000
H      -3.129365000     0.180909000    -0.001719000
H      -2.899891000    -1.327768000     0.884646000
H      -2.899384000    -1.330813000    -0.882808000
H      -0.415197000    -2.551081000    -0.000088000
H       1.859110000    -1.929129000    -0.000016000
16
1H_2pyramidinone_3_2_1
C      -0.207871000    -1.188477000     0.000025000
F      -0.828114000    -2.369772000     0.000000000
C      -1.053272000    -0.060006000    -0.000007000
C      -2.555275000    -0.135269000     0.000005000
C      -0.364862000     1.143866000     0.000000000
N      -0.982864000     2.351129000     0.000101000
N       0.991496000     1.121701000    -0.000040000
C       1.787922000    -0.065462000    -0.000134000
O       2.992482000     0.056331000     0.000084000
N       1.086156000    -1.242239000    -0.000003000
H      -2.875422000    -1.177156000    -0.000004000
H      -2.996158000     0.341379000    -0.885868000
H      -2.996140000     0.341366000     0.885892000
H      -1.984878000     2.400838000    -0.000193000
H      -0.467429000     3.212322000    -0.000265000
H       1.529834000     1.976510000     0.000021000
17
1H_2pyramidinone_3_2_2
C      -0.160727000    -1.215967000    -0.000005000
F      -0.743991000    -2.413221000    -0.000012000
C      -1.048763000    -0.096854000     0.000005000
C      -2.547644000    -0.266787000     0.000014000
C      -0.403387000     1.113418000    -0.000004000
C      -1.084682000     2.449644000    -0.000008000
N       0.955768000     1.131348000    -0.000007000
C       1.794074000    -0.011093000     0.000027000
O       2.995364000     0.130888000     0.000001000
N       1.125460000    -1.219522000    -0.000005000
H      -2.801055000    -1.326738000    -0.000018000
H      -3.012617000     0.183218000    -0.883770000
H      -3.012600000     0.183160000     0.883837000
H      -2.168671000     2.346090000    -0.000064000
H      -0.793504000     3.029045000    -0.883359000
H      -0.793593000     3.029003000     0.883400000
H       1.453216000     2.011157000    -0.000017000
14
1H_2pyramidinone_3_2_3
C      -0.277615000    -1.165299000    -0.000004000
F      -0.956325000    -2.306265000    -0.000004000
C      -1.077303000     0.016409000     0.000001000
C      -2.581710000     0.036869000     0.000008000
C      -0.306663000     1.138126000    -0.000000000
F      -0.826995000     2.349509000    -0.000003000
N       1.037303000     1.095563000    -0.000008000
C       1.779330000    -0.126935000    -0.000000000
O       2.984702000    -0.080369000     0.000011000
N       1.006263000    -1.268168000    -0.000004000
H      -2.964954000    -0.983447000    -0.000016000
H      -2.978214000     0.548603000    -0.882622000
H      -2.978207000     0.548557000     0.882668000
H       1.572444000     1.953259000    -0.000009000
11
1H_2pyramidinone_3_3_0
C      -0.611392000    -0.784463000    -0.000004000
F      -1.538574000    -1.724648000     0.000008000
C      -1.084108000     0.561543000    -0.000003000
F      -2.385503000     0.833902000    -0.000013000
C      -0.135056000     1.528370000     0.000003000
N       1.171485000     1.162428000     0.000017000
C       1.625759000    -0.182166000     0.000018000
O       2.809828000    -0.415734000    -0.000026000
N       0.619813000    -1.139691000     0.000006000
H      -0.374399000     2.584053000    -0.000002000
H       1.902167000     1.859665000     0.000014000
13
1H_2pyramidinone_3_3_1
C       0.190110000    -1.223259000    -0.000015000
F       0.782374000    -2.408237000    -0.000021000
C       1.041227000    -0.109927000     0.000016000
F       2.382684000    -0.204171000     0.000004000
C       0.448707000     1.135262000     0.000005000
N       1.164326000     2.281960000    -0.000096000
N      -0.907896000     1.167372000     0.000046000
C      -1.753319000     0.009089000     0.000171000
O      -2.950508000     0.180537000    -0.000107000
N      -1.103555000    -1.200279000     0.000006000
H       2.167308000     2.226133000     0.000087000
H       0.728749000     3.185658000     0.000200000
H      -1.407993000     2.045234000    -0.000026000
14
1H_2pyramidinone_3_3_2
C       0.098971000    -1.252569000    -0.000008000
F       0.621394000    -2.466735000     0.000003000
C       1.029059000    -0.176009000    -0.000001000
F       2.343062000    -0.412181000    -0.000001000
C       0.521442000     1.086664000    -0.000002000
C       1.357649000     2.326781000    -0.000002000
N      -0.835842000     1.202568000     0.000005000
C      -1.754581000     0.121656000     0.000019000
O      -2.941449000     0.346716000    -0.000010000
N      -1.178721000    -1.139860000    -0.000001000
H       2.416225000     2.068995000    -0.000112000
H       1.143619000     2.935857000     0.884860000
H       1.143455000     2.935971000    -0.884743000
H      -1.265102000     2.117604000    -0.000001000
11
1H_2pyramidinone_3_3_3
C       0.334753000    -1.178599000    -0.000012000
F       1.052880000    -2.285086000     0.000002000
C       1.082184000     0.031792000     0.000004000
F       2.409956000     0.054104000    -0.000011000
C       0.329475000     1.165207000     0.000008000
F       0.845360000     2.370735000    -0.000015000
N      -1.016242000     1.085774000     0.000031000
C      -1.736957000    -0.150195000     0.000064000
O      -2.941492000    -0.127384000    -0.000053000
N      -0.945393000    -1.283204000     0.000004000
H      -1.567112000     1.934070000     0.000013000
11
1H_4pyramidinone_0_0_0
C      -1.080214000    -0.020641000     0.000024000
O      -2.293673000    -0.031107000    -0.000029000
C      -0.289806000     1.220372000     0.000016000
C       1.055203000     1.178854000    -0.000001000
N       1.693270000    -0.041324000    -0.000015000
C       0.943128000    -1.185854000    -0.000001000
N      -0.338765000    -1.232776000     0.000018000
H      -0.820537000     2.163540000     0.000020000
H       1.695779000     2.052620000    -0.000006000
H       2.698543000    -0.096988000    -0.000037000
H       1.524197000    -2.108001000     0.000003000
13
1H_4pyramidinone_0_0_1
C       1.267437000    -0.471512000    -0.000015000
O       2.276622000    -1.151421000    -0.000021000
C       1.316141000     1.004010000     0.000056000
C       0.181015000     1.717590000     0.000014000
N      -1.040307000     1.069624000    -0.000031000
C      -1.065969000    -0.307836000     0.000018000
N      -2.300317000    -0.884405000    -0.000296000
N      -0.008300000    -1.053647000     0.000039000
H       2.284541000     1.485742000     0.000109000
H       0.132861000     2.799859000    -0.000006000
H      -1.892472000     1.604251000    -0.000307000
H      -3.157555000    -0.364555000     0.001333000
H      -2.329631000    -1.888445000     0.000620000
14
1H_4pyramidinone_0_0_2
C      -1.275859000    -0.509621000     0.000063000
O      -2.247397000    -1.239406000    -0.000025000
C      -1.383020000     0.957849000     0.000031000
C      -0.275311000     1.718966000     0.000010000
N       0.962801000     1.115198000    -0.000040000
C       1.057654000    -0.254936000    -0.000059000
C       2.450678000    -0.830249000     0.000033000
N       0.035379000    -1.039218000    -0.000036000
H      -2.370199000     1.400907000     0.000033000
H      -0.274151000     2.802550000     0.000012000
H       1.798943000     1.675350000    -0.000037000
H       3.226505000    -0.059343000    -0.001035000
H       2.582641000    -1.464977000    -0.879637000
H       2.583324000    -1.463152000     0.880932000
11
1H_4pyramidinone_0_0_3
C       1.282102000    -0.411838000     0.000008000
O       2.319221000    -1.035752000    -0.000020000
C       1.226318000     1.061439000     0.000013000
C       0.047171000     1.704331000    -0.000001000
N      -1.127308000     0.974975000    -0.000011000
C      -1.032538000    -0.382665000     0.000007000
F      -2.226399000    -0.958506000    -0.000003000
N       0.025356000    -1.076966000     0.000017000
H       2.161684000     1.604290000     0.000020000
H      -0.068714000     2.780481000    -0.000007000
H      -2.033800000     1.414135000    -0.000030000
13
1H_4pyramidinone_0_1_0
C      -1.330790000    -0.415346000    -0.000190000
O      -2.376912000    -1.034170000     0.000164000
C      -0.020640000    -1.047583000    -0.000076000
C       1.124827000    -0.313033000    -0.000096000
N       2.394493000    -0.816177000    -0.000641000
N       1.012160000     1.063441000    -0.000033000
C      -0.236258000     1.644116000     0.000053000
N      -1.347599000     1.017093000     0.000088000
H       0.021365000    -2.129518000     0.000044000
H       2.532155000    -1.809796000     0.001563000
H       3.207413000    -0.229271000     0.003459000
H       1.831911000     1.648622000    -0.000498000
H      -0.213759000     2.733897000     0.000075000
15
1H_4pyramidinone_0_1_1
C      -0.557629000     1.417858000     0.001252000
O      -1.003943000     2.549942000    -0.006400000
C       0.879878000     1.135491000     0.008867000
C       1.336683000    -0.135513000     0.006455000
N       2.665467000    -0.544570000     0.083134000
N       0.419743000    -1.171616000    -0.015892000
C      -0.930182000    -0.887067000    -0.008060000
N      -1.759530000    -1.992463000    -0.071042000
N      -1.423263000     0.300686000     0.000853000
H       1.564535000     1.973627000     0.000300000
H       3.309807000     0.231176000     0.010877000
H       2.916178000    -1.268631000    -0.580432000
H       0.746114000    -2.122962000     0.039183000
H      -1.473008000    -2.808111000     0.451942000
H      -2.721505000    -1.733501000     0.098873000
16
1H_4pyramidinone_0_1_2
C      -0.015957000     1.536903000     0.000075000
O      -0.065364000     2.752765000    -0.000048000
C       1.231156000     0.786642000     0.000011000
C       1.233489000    -0.571924000     0.000006000
N       2.343767000    -1.369328000     0.000022000
N       0.016527000    -1.225871000     0.000009000
C      -1.163528000    -0.506913000    -0.000001000
C      -2.428966000    -1.327586000    -0.000012000
N      -1.219110000     0.773059000     0.000005000
H       2.161183000     1.340651000    -0.000027000
H       3.254091000    -0.948270000    -0.000098000
H       2.289079000    -2.370411000    -0.000182000
H      -0.018233000    -2.232120000     0.000028000
H      -2.237010000    -2.404764000     0.000100000
H      -3.025770000    -1.077564000    -0.880547000
H      -3.025890000    -1.077398000     0.880392000
13
1H_4pyramidinone_0_1_3
C       1.065142000     1.090517000    -0.000435000
O       1.909033000     1.960088000    -0.003108000
C      -0.372117000     1.358693000     0.007050000
C      -1.277349000     0.352741000    -0.000596000
N      -2.654679000     0.472482000    -0.083067000
N      -0.812769000    -0.954091000     0.018051000
C       0.538558000    -1.159103000     0.006024000
F       0.823487000    -2.455058000    -0.008222000
N       1.448927000    -0.287538000     0.012577000
H      -0.692591000     2.391981000     0.027280000
H      -2.977950000     1.425531000     0.004646000
H      -3.176227000    -0.146991000     0.524542000
H      -1.432627000    -1.728750000    -0.162789000
14
1H_4pyramidinone_0_2_0
C       1.345170000    -0.439416000    -0.000003000
O       2.361555000    -1.104050000     0.000014000
C       0.002403000    -1.034402000    -0.000018000
C      -1.112724000    -0.273786000    -0.000011000
C      -2.522069000    -0.782057000     0.000010000
N      -0.950583000     1.100119000     0.000002000
C       0.305611000     1.643362000     0.000001000
N       1.402805000     0.980644000    -0.000003000
H      -0.067888000    -2.115004000    -0.000032000
H      -2.532368000    -1.872610000    -0.000188000
H      -3.068193000    -0.432700000    -0.884328000
H      -3.068043000    -0.433027000     0.884570000
H      -1.756602000     1.704896000    -0.000002000
H       0.324748000     2.733304000    -0.000000000
16
1H_4pyramidinone_0_2_1
C       0.721179000     1.355753000    -0.000002000
O       1.263320000     2.445997000     0.000020000
C      -0.745695000     1.212810000    -0.000029000
C      -1.330046000     0.001632000    -0.000017000
C      -2.803908000    -0.266349000     0.000013000
N      -0.511452000    -1.120157000     0.000003000
C       0.858337000    -0.972479000    -0.000010000
N       1.583082000    -2.126725000     0.000074000
N       1.467592000     0.168229000    -0.000011000
H      -1.341228000     2.116452000    -0.000048000
H      -3.359409000     0.672103000    -0.000159000
H      -3.102751000    -0.842220000     0.884545000
H      -3.102735000    -0.842539000    -0.884316000
H      -0.930164000    -2.035960000     0.000057000
H       1.172965000    -3.041488000    -0.000300000
H       2.583002000    -2.031953000    -0.000133000
17
1H_4pyramidinone_0_2_2
C      -0.364042000     1.505032000     0.000013000
O      -0.648978000     2.687146000    -0.000016000
C       1.023779000     1.024097000     0.000011000
C       1.310282000    -0.293135000     0.000006000
C       2.682906000    -0.894290000    -0.000007000
N       0.250093000    -1.182528000    -0.000001000
C      -1.047884000    -0.733167000     0.000003000
C      -2.120920000    -1.792047000    -0.000004000
N      -1.372040000     0.512828000     0.000006000
H       1.814943000     1.763223000     0.000011000
H       3.440821000    -0.110038000     0.000073000
H       2.839519000    -1.523529000    -0.884395000
H       2.839476000    -1.523669000     0.884289000
H       0.432637000    -2.173180000    -0.000005000
H      -1.713945000    -2.807272000    -0.000010000
H      -2.756363000    -1.666870000    -0.880181000
H      -2.756362000    -1.666880000     0.880176000
14
1H_4pyramidinone_0_2_3
C       1.027348000     1.143467000     0.000022000
O       1.810675000     2.067387000    -0.000008000
C      -0.432615000     1.327098000    -0.000002000
C      -1.280887000     0.280294000    -0.000002000
C      -2.776056000     0.352720000     0.000002000
N      -0.732049000    -0.996024000    -0.000002000
C       0.622217000    -1.128062000    -0.000011000
F       0.988677000    -2.402907000     0.000004000
N       1.484835000    -0.203302000    -0.000001000
H      -0.807266000     2.342188000    -0.000014000
H      -3.105570000     1.392059000    -0.000033000
H      -3.194584000    -0.141867000     0.884528000
H      -3.194591000    -0.141929000    -0.884485000
H      -1.311023000    -1.821206000    -0.000004000
11
1H_4pyramidinone_0_3_0
C       1.327198000    -0.364353000    -0.000150000
O       2.394468000    -0.936940000     0.000035000
C       0.039174000    -1.075590000     0.000025000
C      -1.100011000    -0.369777000     0.000008000
F      -2.316212000    -0.888401000     0.000006000
N      -1.091142000     0.999176000    -0.000026000
C       0.125850000     1.641963000     0.000029000
N       1.264732000     1.060882000     0.000040000
H       0.027656000    -2.156231000     0.000119000
H      -1.963108000     1.505179000    -0.000064000
H       0.057224000     2.728327000     0.000045000
13
1H_4pyramidinone_0_3_1
C       0.110320000     1.508577000    -0.000043000
O       0.188879000     2.720724000    -0.000028000
C       1.312960000     0.650246000     0.000076000
C       1.155172000    -0.674971000     0.000039000
F       2.133329000    -1.568119000    -0.000024000
N      -0.088956000    -1.259643000    -0.000014000
C      -1.199460000    -0.432020000     0.000053000
N      -2.404053000    -1.062876000    -0.000375000
N      -1.135174000     0.856432000     0.000056000
H       2.294011000     1.101884000     0.000146000
H      -0.151166000    -2.265068000    -0.000429000
H      -2.509650000    -2.059967000     0.001668000
H      -3.220855000    -0.477952000     0.000632000
14
1H_4pyramidinone_0_3_2
C       0.601980000     1.402341000    -0.000029000
O       1.040184000     2.533276000     0.000012000
C       1.473234000     0.215486000     0.000001000
C       0.910343000    -0.998387000     0.000001000
F       1.569230000    -2.146250000     0.000001000
N      -0.450023000    -1.157551000    -0.000002000
C      -1.256421000    -0.035943000     0.000006000
C      -2.740565000    -0.289315000     0.000001000
N      -0.796236000     1.162639000     0.000002000
H       2.546694000     0.338414000     0.000016000
H      -0.834532000    -2.089087000    -0.000003000
H      -2.986459000    -1.354656000     0.000026000
H      -3.188922000     0.177312000    -0.880476000
H      -3.188932000     0.177356000     0.880449000
11
1H_4pyramidinone_0_3_3
C      -1.350454000     0.681649000     0.000020000
O      -2.433787000     1.217362000    -0.000020000
C      -0.082910000     1.433424000     0.000009000
C       1.076032000     0.765019000     0.000001000
F       2.276963000     1.310082000    -0.000004000
N       1.111756000    -0.610296000    -0.000003000
C      -0.090171000    -1.263648000     0.000002000
F       0.074162000    -2.575359000    -0.000004000
N      -1.238157000    -0.740187000     0.000009000
H      -0.107997000     2.513261000     0.000005000
H       1.988004000    -1.109942000    -0.000018000
13
1H_4pyramidinone_1_0_0
C      -0.506280000    -0.839278000     0.000132000
O      -1.522055000    -1.521620000    -0.000060000
C      -0.629580000     0.646483000    -0.000009000
N      -1.911721000     1.090911000    -0.000158000
C       0.500050000     1.403267000     0.000004000
N       1.727858000     0.756534000    -0.000000000
C       1.795381000    -0.590170000    -0.000019000
N       0.769039000    -1.383898000     0.000011000
H      -2.614136000     0.367495000     0.000431000
H      -2.162955000     2.060957000     0.000493000
H       0.523223000     2.484860000    -0.000011000
H       2.575927000     1.299423000    -0.000010000
H       2.800724000    -1.006417000    -0.000045000
15
1H_4pyramidinone_1_0_1
C      -0.694909000     0.883929000     0.000202000
O      -1.517599000     1.791926000    -0.000085000
C      -1.182411000    -0.530479000    -0.000019000
N      -2.539560000    -0.642028000    -0.000247000
C      -0.273391000    -1.531034000     0.000018000
N       1.088767000    -1.207896000    -0.000000000
C       1.486709000     0.088324000    -0.000058000
N       2.829281000     0.335032000    -0.000213000
N       0.662859000     1.102432000     0.000034000
H      -3.037342000     0.234207000     0.000703000
H      -3.023726000    -1.518648000     0.000820000
H      -0.504863000    -2.587507000     0.000002000
H       1.764414000    -1.952998000    -0.000111000
H       3.525290000    -0.386112000     0.000913000
H       3.111603000     1.298431000     0.000478000
16
1H_4pyramidinone_1_0_2
C      -0.714559000     0.886135000     0.000138000
O      -1.528945000     1.801080000    -0.000072000
C      -1.208626000    -0.520534000     0.000006000
N      -2.561773000    -0.628826000    -0.000108000
C      -0.301825000    -1.530565000     0.000002000
N       1.049612000    -1.208383000    -0.000019000
C       1.468348000     0.077384000    -0.000035000
C       2.953958000     0.319369000     0.000009000
N       0.651661000     1.093205000    -0.000002000
H      -3.058350000     0.248805000     0.000347000
H      -3.048931000    -1.504373000     0.000355000
H      -0.543795000    -2.585119000    -0.000025000
H       1.728834000    -1.951346000    -0.000026000
H       3.530474000    -0.610305000    -0.000719000
H       3.231628000     0.904851000     0.880571000
H       3.231428000     0.906142000    -0.879745000
13
1H_4pyramidinone_1_0_3
C       0.700781000     0.881964000     0.000170000
O       1.536804000     1.769923000    -0.000066000
C       1.142011000    -0.545655000    -0.000018000
N       2.491603000    -0.699692000    -0.000247000
C       0.204385000    -1.525484000     0.000017000
N      -1.143906000    -1.160617000     0.000013000
C      -1.470514000     0.139917000    -0.000022000
F      -2.781245000     0.344807000    -0.000024000
N      -0.666044000     1.133507000     0.000024000
H       3.023829000     0.156016000     0.000601000
H       2.946207000    -1.592457000     0.000720000
H       0.407486000    -2.586881000    -0.000002000
H      -1.872302000    -1.856157000     0.000011000
15
1H_4pyramidinone_1_1_0
C       1.320787000    -0.066514000    -0.010915000
O       2.356344000    -0.713100000    -0.082231000
C       0.019009000    -0.729858000     0.032381000
N      -0.030642000    -2.144293000    -0.000154000
C      -1.126558000     0.003162000    -0.000036000
N      -2.402284000    -0.548663000     0.008405000
N      -1.024133000     1.380166000     0.013400000
C       0.209160000     1.969830000     0.035321000
N       1.330034000     1.344222000     0.010785000
H       0.923684000    -2.462852000    -0.161358000
H      -0.332100000    -2.533356000     0.889412000
H      -2.352740000    -1.526045000    -0.263119000
H      -3.069472000    -0.054573000    -0.573189000
H      -1.852831000     1.944284000     0.120537000
H       0.187494000     3.057599000     0.078013000
17
1H_4pyramidinone_1_1_1
C      -0.328467000    -1.328711000    -0.017383000
O      -0.886623000    -2.415635000    -0.088101000
C      -1.107259000    -0.089210000     0.040404000
N      -2.527425000    -0.153913000     0.032183000
C      -0.476109000     1.109097000    -0.005297000
N      -1.128044000     2.337764000     0.009737000
N       0.908977000     1.132951000    -0.009290000
C       1.611521000    -0.046317000     0.005263000
N       2.989937000     0.086685000    -0.029760000
N       1.068052000    -1.216862000    -0.001031000
H      -2.764453000    -1.116315000    -0.205930000
H      -2.907720000     0.009848000     0.961646000
H      -2.108305000     2.194070000    -0.216178000
H      -0.721480000     3.025028000    -0.615727000
H       1.392601000     2.016411000    -0.033315000
H       3.384239000     0.825468000     0.536240000
H       3.439511000    -0.804947000     0.127271000
18
1H_4pyramidinone_1_1_2
C      -0.375976000    -1.324649000    -0.016365000
O      -0.947602000    -2.404900000    -0.081415000
C      -1.130532000    -0.075798000     0.036922000
N      -2.547482000    -0.121326000     0.021242000
C      -0.475254000     1.113340000    -0.005401000
N      -1.108873000     2.350830000     0.010549000
N       0.905484000     1.105976000    -0.011238000
C       1.599140000    -0.080175000     0.004400000
C       3.098008000     0.042268000     0.046674000
N       1.029922000    -1.236476000    -0.014022000
H      -2.799987000    -1.092152000    -0.158505000
H      -2.940342000     0.123112000     0.926805000
H      -2.086377000     2.234169000    -0.239536000
H      -0.672364000     3.044165000    -0.586487000
H       1.403272000     1.976720000     0.091553000
H       3.474140000     0.607652000    -0.813540000
H       3.529537000    -0.957192000     0.032652000
H       3.427264000     0.559779000     0.955279000
15
1H_4pyramidinone_1_1_3
C      -0.344030000    -1.331046000    -0.013176000
O      -0.917137000    -2.405094000    -0.074972000
C      -1.084665000    -0.069796000     0.033722000
N      -2.502932000    -0.095567000     0.016149000
C      -0.424180000     1.116347000    -0.005900000
N      -1.042634000     2.355972000     0.010375000
N       0.963216000     1.103525000    -0.011172000
C       1.598840000    -0.098987000     0.005540000
F       2.916677000     0.046627000     0.046915000
N       1.068909000    -1.247733000    -0.013944000
H      -2.775773000    -1.050329000    -0.210738000
H      -2.889849000     0.106092000     0.934923000
H      -2.024445000     2.251425000    -0.227432000
H      -0.599716000     3.052269000    -0.577749000
H       1.495075000     1.949166000     0.127572000
16
1H_4pyramidinone_1_2_0
C       1.338930000     0.086322000     0.008904000
O       2.347661000     0.779402000     0.018710000
C       0.004711000     0.732046000     0.002245000
N       0.026719000     2.116668000     0.051446000
C      -1.123327000    -0.027774000     0.004664000
C      -2.522454000     0.506939000     0.027156000
N      -0.956906000    -1.407441000    -0.014570000
C       0.275475000    -1.965189000    -0.016860000
N       1.387750000    -1.305809000    -0.004157000
H       0.979401000     2.440921000    -0.084433000
H      -0.647602000     2.603292000    -0.519777000
H      -2.543602000     1.470265000     0.543951000
H      -3.199653000    -0.170488000     0.559146000
H      -2.931486000     0.656890000    -0.980554000
H      -1.771669000    -2.000601000    -0.019563000
H       0.290375000    -3.053476000    -0.034135000
18
1H_4pyramidinone_1_2_1
C       0.261102000    -1.353820000     0.015930000
O       0.793915000    -2.456466000     0.029792000
C       1.107439000    -0.132919000    -0.001807000
N       2.482044000    -0.364271000     0.030308000
C       0.526631000     1.089287000     0.009953000
C       1.255578000     2.396383000     0.033131000
N      -0.870261000     1.143277000    -0.008734000
C      -1.614642000     0.005476000    -0.004482000
N      -2.987940000     0.175217000     0.052260000
N      -1.114432000    -1.193230000    -0.005877000
H       2.637413000    -1.362725000    -0.080774000
H       3.029965000     0.177777000    -0.622663000
H       2.254569000     2.253464000     0.452009000
H       0.734532000     3.132452000     0.657321000
H       1.366039000     2.835680000    -0.967109000
H      -1.320492000     2.033713000     0.131325000
H      -3.369586000     0.929971000    -0.500661000
H      -3.466290000    -0.701999000    -0.099834000
19
1H_4pyramidinone_1_2_2
C      -0.328129000    -1.346570000    -0.000365000
O      -0.902827000    -2.429433000     0.000150000
C      -1.143253000    -0.098783000    -0.000174000
N      -2.483745000    -0.337393000    -0.000493000
C      -0.517239000     1.110190000    -0.000026000
C      -1.161654000     2.463327000    -0.000066000
N       0.877865000     1.097722000     0.000050000
C       1.595056000    -0.048788000     0.000032000
C       3.095168000     0.076062000     0.000148000
N       1.048843000    -1.230461000    -0.000082000
H      -2.733837000    -1.314366000     0.001479000
H      -3.183538000     0.377804000     0.003455000
H      -2.250020000     2.386507000    -0.001294000
H      -0.877213000     3.048648000    -0.884451000
H      -0.879032000     3.047962000     0.885357000
H       1.362923000     1.980902000     0.000116000
H       3.430256000     1.117438000     0.000359000
H       3.506375000    -0.425406000    -0.880009000
H       3.506256000    -0.425734000     0.880170000
16
1H_4pyramidinone_1_2_3
C       0.300329000    -1.351339000     0.000384000
O       0.876856000    -2.427277000    -0.000135000
C       1.099081000    -0.089467000     0.000148000
N       2.443059000    -0.313805000     0.000389000
C       0.464365000     1.113663000     0.000028000
C       1.090198000     2.473581000     0.000083000
N      -0.938477000     1.091719000    -0.000060000
C      -1.597519000    -0.075966000    -0.000060000
F      -2.915989000     0.074842000    -0.000145000
N      -1.085655000    -1.245776000     0.000078000
H       2.711730000    -1.285042000    -0.001266000
H       3.132396000     0.411426000    -0.003018000
H       2.179191000     2.409693000     0.001265000
H       0.797517000     3.054221000     0.884627000
H       0.799284000     3.053593000    -0.885457000
H      -1.462275000     1.952941000    -0.000126000
13
1H_4pyramidinone_1_3_0
C       1.293299000     0.164218000     0.000134000
O       2.421870000    -0.303480000    -0.000059000
C       0.130952000    -0.759728000    -0.000016000
N       0.429399000    -2.086485000    -0.000166000
C      -1.103109000    -0.209976000    -0.000009000
F      -2.241226000    -0.908948000     0.000008000
N      -1.272252000     1.155802000    -0.000003000
C      -0.178219000     1.960094000    -0.000015000
N       1.042050000     1.535408000     0.000012000
H       1.412192000    -2.306087000     0.000489000
H      -0.269846000    -2.803232000     0.000491000
H      -2.208217000     1.530775000    -0.000013000
H      -0.389979000     3.026194000    -0.000038000
15
1H_4pyramidinone_1_3_1
C      -0.422622000    -1.285638000    -0.005083000
O      -1.061746000    -2.326493000     0.021054000
C      -1.152148000     0.008826000    -0.026257000
N      -2.536136000    -0.059300000    -0.091471000
C      -0.413265000     1.128889000    -0.008062000
F      -0.907162000     2.367498000     0.011571000
N       0.970404000     1.090047000     0.025376000
C       1.594464000    -0.127029000     0.002177000
N       2.972269000    -0.094626000    -0.080502000
N       0.965931000    -1.260031000     0.013345000
H      -2.836364000    -0.998003000     0.149380000
H      -3.035135000     0.664542000     0.404915000
H       1.472140000     1.940982000    -0.177840000
H       3.441548000     0.626837000     0.448448000
H       3.370388000    -1.012812000     0.058636000
16
1H_4pyramidinone_1_3_2
C      -0.448219000    -1.284726000     0.000448000
O      -1.095437000    -2.322211000    -0.000213000
C      -1.173801000     0.011285000    -0.000020000
N      -2.531957000    -0.068945000    -0.000417000
C      -0.426435000     1.133676000    -0.000013000
F      -0.921629000     2.375553000     0.000015000
N       0.949752000     1.074711000     0.000019000
C       1.581297000    -0.131884000    -0.000010000
C       3.085122000    -0.113512000    -0.000077000
N       0.940491000    -1.260313000     0.000083000
H      -2.905661000    -1.004079000     0.001128000
H      -3.126722000     0.736461000     0.000971000
H       1.464803000     1.941219000    -0.000013000
H       3.491063000     0.901979000    -0.000090000
H       3.459403000    -0.642532000    -0.880494000
H       3.459492000    -0.642542000     0.880298000
13
1H_4pyramidinone_1_3_3
C      -0.447472000    -1.281672000     0.000022000
O      -1.116724000    -2.299256000    -0.000009000
C      -1.127873000     0.040335000    -0.000001000
N      -2.488976000     0.003764000    -0.000021000
C      -0.349927000     1.141155000    -0.000000000
F      -0.801255000     2.394910000     0.000002000
N       1.032459000     1.043268000    -0.000001000
C       1.579251000    -0.190861000    -0.000003000
F       2.902419000    -0.161108000    -0.000002000
N       0.949560000    -1.297534000     0.000003000
H      -2.899182000    -0.915301000     0.000058000
H      -3.055088000     0.829566000     0.000051000
H       1.602417000     1.875340000     0.000001000
14
1H_4pyramidinone_2_0_0
C      -0.411648000     0.906480000    -0.000081000
O      -1.304394000     1.733258000     0.000027000
C      -0.683903000    -0.551564000    -0.000024000
C      -2.116877000    -1.013197000     0.000020000
C       0.361660000    -1.404682000    -0.000016000
N       1.654622000    -0.926411000     0.000008000
C       1.867892000     0.419746000     0.000025000
N       0.942996000     1.310783000     0.000002000
H      -2.763671000    -0.134826000    -0.000453000
H      -2.348601000    -1.616662000     0.884084000
H      -2.348390000    -1.617513000    -0.883513000
H       0.258558000    -2.484145000    -0.000018000
H       2.435305000    -1.562415000     0.000014000
H       2.915880000     0.718194000     0.000047000
16
1H_4pyramidinone_2_0_1
C      -0.661093000     0.926000000    -0.000014000
O      -1.410789000     1.887978000    -0.000001000
C      -1.185688000    -0.467230000    -0.000001000
C      -2.677359000    -0.672811000     0.000010000
C      -0.301460000    -1.479251000    -0.000004000
N       1.062062000    -1.235277000    -0.000005000
C       1.508968000     0.062003000     0.000005000
N       2.860041000     0.240177000    -0.000013000
N       0.725457000     1.093330000     0.000003000
H      -3.157217000     0.307095000    -0.000014000
H      -3.014201000    -1.225114000     0.883944000
H      -3.014207000    -1.225162000    -0.883893000
H      -0.579283000    -2.527334000    -0.000007000
H       1.707087000    -2.007427000    -0.000022000
H       3.520167000    -0.514254000     0.000085000
H       3.190831000     1.188503000     0.000045000
17
1H_4pyramidinone_2_0_2
C      -0.682184000     0.926347000     0.000487000
O      -1.415837000     1.898766000    -0.000252000
C      -1.213406000    -0.458685000     0.000103000
C      -2.705319000    -0.657194000    -0.000089000
C      -0.333468000    -1.479417000     0.000033000
N       1.024003000    -1.236168000    -0.000037000
C       1.490932000     0.049269000    -0.000050000
C       2.986962000     0.227126000    -0.000070000
N       0.716700000     1.081283000     0.000073000
H      -3.183840000     0.323181000    -0.000711000
H      -3.042018000    -1.209371000     0.883906000
H      -3.041690000    -1.210426000    -0.883548000
H      -0.621546000    -2.524998000    -0.000049000
H       1.672300000    -2.006293000    -0.000120000
H       3.524652000    -0.725342000    -0.000549000
H       3.286484000     0.800907000     0.880486000
H       3.286333000     0.801736000    -0.880128000
14
1H_4pyramidinone_2_0_3
C      -0.664939000     0.925577000    -0.000111000
O      -1.422444000     1.873701000     0.000027000
C      -1.148407000    -0.480447000    -0.000039000
C      -2.634473000    -0.722660000     0.000045000
C      -0.241286000    -1.475535000    -0.000037000
N       1.115304000    -1.194821000     0.000005000
C       1.495061000     0.106538000     0.000039000
F       2.813379000     0.243038000     0.000027000
N       0.735657000     1.120459000    -0.000012000
H      -3.143119000     0.242305000    -0.001325000
H      -2.953790000    -1.283071000     0.884798000
H      -2.953508000    -1.285579000    -0.883207000
H      -0.494974000    -2.528648000    -0.000058000
H       1.812063000    -1.922257000    -0.000005000
16
1H_4pyramidinone_2_1_0
C       1.324394000     0.135715000     0.000151000
O       2.345494000     0.801759000    -0.000113000
C      -0.012512000     0.732177000     0.000060000
C      -0.138784000     2.230840000     0.000004000
C      -1.111553000    -0.076580000     0.000035000
N      -2.405148000     0.366970000     0.000166000
N      -0.936331000    -1.447260000     0.000005000
C       0.331879000    -1.969844000    -0.000027000
N       1.411034000    -1.286360000    -0.000019000
H       0.866824000     2.654194000     0.000020000
H      -0.667823000     2.607476000     0.886206000
H      -0.667765000     2.607429000    -0.886259000
H      -2.587070000     1.352840000    -0.000565000
H      -3.189785000    -0.257150000    -0.000910000
H      -1.730412000    -2.067063000     0.000067000
H       0.364657000    -3.059091000    -0.000049000
18
1H_4pyramidinone_2_1_1
C      -0.308911000    -1.340446000    -0.000293000
O      -0.825829000    -2.447628000    -0.000032000
C      -1.110244000    -0.107960000     0.000008000
C      -2.610341000    -0.213185000     0.000215000
C      -0.475826000     1.092628000     0.000006000
N      -1.101153000     2.311489000     0.000160000
N       0.911484000     1.135726000    -0.000041000
C       1.627194000    -0.043226000     0.000052000
N       2.985904000     0.090540000    -0.000179000
N       1.091536000    -1.214236000    -0.000018000
H      -2.870013000    -1.273282000     0.000080000
H      -3.067100000     0.249622000    -0.885726000
H      -3.066849000     0.249366000     0.886414000
H      -2.102804000     2.346912000    -0.000761000
H      -0.598805000     3.178727000    -0.001156000
H       1.385299000     2.023917000    -0.000144000
H       3.460202000     0.973421000     0.001456000
H       3.521080000    -0.759163000     0.000718000
19
1H_4pyramidinone_2_1_2
C      -0.344471000    -1.338675000     0.000294000
O      -0.858236000    -2.445701000    -0.000153000
C      -1.132074000    -0.104082000     0.000081000
C      -2.632782000    -0.196387000    -0.000064000
C      -0.487149000     1.095755000     0.000037000
N      -1.107592000     2.315715000     0.000075000
N       0.895030000     1.118688000     0.000013000
C       1.612207000    -0.056163000    -0.000015000
C       3.113264000     0.085592000    -0.000065000
N       1.068295000    -1.217783000     0.000031000
H      -2.904652000    -1.253195000     0.000023000
H      -3.082731000     0.272161000    -0.886245000
H      -3.082895000     0.272350000     0.885930000
H      -2.109143000     2.357753000    -0.000278000
H      -0.599489000     3.179927000    -0.000424000
H       1.385411000     1.998256000     0.000021000
H       3.440538000     1.129654000     0.000040000
H       3.527331000    -0.411836000    -0.880576000
H       3.527412000    -0.412042000     0.880292000
16
1H_4pyramidinone_2_1_3
C      -0.323369000    -1.343623000     0.000167000
O      -0.847804000    -2.440557000    -0.000101000
C      -1.086682000    -0.091722000     0.000054000
C      -2.589101000    -0.160234000    -0.000019000
C      -0.427461000     1.100161000     0.000033000
N      -1.023702000     2.328220000     0.000153000
N       0.960921000     1.105904000     0.000002000
C       1.613226000    -0.090598000    -0.000041000
F       2.930530000     0.081988000    -0.000014000
N       1.099565000    -1.240863000    -0.000006000
H      -2.880365000    -1.211682000    -0.000012000
H      -3.030374000     0.315234000    -0.886457000
H      -3.030448000     0.315272000     0.886357000
H      -2.024533000     2.388185000    -0.000468000
H      -0.499866000     3.183197000    -0.000762000
H       1.496081000     1.959619000     0.000062000
17
1H_4pyramidinone_2_2_0
C      -1.344711000     0.133699000    -0.000188000
O      -2.352134000     0.818056000     0.000026000
C       0.013597000     0.731223000    -0.000033000
C       0.101535000     2.235860000     0.000066000
C       1.099189000    -0.081081000    -0.000027000
C       2.535094000     0.354115000    -0.000015000
N       0.898719000    -1.452839000    -0.000010000
C      -0.361275000    -1.969018000     0.000060000
N      -1.441198000    -1.275766000     0.000039000
H      -0.913902000     2.633739000    -0.000235000
H       0.623266000     2.619261000    -0.883808000
H       0.622691000     2.619177000     0.884320000
H       2.616744000     1.439881000     0.000076000
H       3.060610000    -0.026978000    -0.884224000
H       3.060620000    -0.027120000     0.884127000
H       1.693048000    -2.073135000     0.000020000
H      -0.409226000    -3.057837000     0.000123000
19
1H_4pyramidinone_2_2_1
C      -0.254705000    -1.364933000    -0.000251000
O      -0.749114000    -2.480923000    -0.000020000
C      -1.105282000    -0.142189000    -0.000001000
C      -2.599277000    -0.342081000     0.000179000
C      -0.510440000     1.069660000    -0.000034000
C      -1.200314000     2.401519000    -0.000053000
N       0.880504000     1.140110000    -0.000060000
C       1.633222000    -0.005208000     0.000056000
N       2.986590000     0.157324000    -0.000147000
N       1.131066000    -1.198027000     0.000018000
H      -2.792302000    -1.415746000     0.000074000
H      -3.077658000     0.094517000    -0.883837000
H      -3.077431000     0.094315000     0.884418000
H      -2.282611000     2.281411000     0.000070000
H      -0.923186000     2.989210000    -0.884370000
H      -0.922995000     2.989318000     0.884131000
H       1.321610000     2.045471000    -0.000227000
H       3.439016000     1.051831000     0.001201000
H       3.542137000    -0.679388000     0.000644000
20
1H_4pyramidinone_2_2_2
C      -0.296575000    -1.363116000    -0.000128000
O      -0.794777000    -2.476018000     0.000011000
C      -1.127858000    -0.133922000    -0.000013000
C      -2.624042000    -0.312846000     0.000066000
C      -0.516243000     1.073893000    -0.000020000
C      -1.192581000     2.413456000    -0.000015000
N       0.870012000     1.116756000    -0.000019000
C       1.617197000    -0.027222000     0.000020000
C       3.114535000     0.142798000     0.000039000
N       1.101368000    -1.208532000     0.000005000
H      -2.835182000    -1.382940000     0.000018000
H      -3.094123000     0.132501000    -0.883867000
H      -3.094024000     0.132409000     0.884097000
H      -2.276207000     2.306128000     0.000014000
H      -0.908373000     2.997435000    -0.884131000
H      -0.908326000     2.997443000     0.884080000
H       1.332439000     2.011879000    -0.000019000
H       3.420308000     1.192943000     0.000120000
H       3.537729000    -0.347666000    -0.880151000
H       3.537714000    -0.347803000     0.880157000
17
1H_4pyramidinone_2_2_3
C      -0.260073000    -1.369979000    -0.000094000
O      -0.758143000    -2.477847000     0.000008000
C      -1.081596000    -0.130281000    -0.000013000
C      -2.578867000    -0.302857000     0.000045000
C      -0.468506000     1.075631000    -0.000020000
C      -1.134605000     2.418263000    -0.000009000
N       0.924156000     1.116707000    -0.000015000
C       1.620278000    -0.044873000     0.000025000
F       2.930701000     0.158851000     0.000025000
N       1.145273000    -1.218124000     0.000009000
H      -2.797385000    -1.371319000    -0.000054000
H      -3.045677000     0.144654000    -0.884085000
H      -3.045591000     0.144471000     0.884314000
H      -2.218666000     2.317461000    -0.000062000
H      -0.845309000     2.999326000    -0.884116000
H      -0.845394000     2.999262000     0.884168000
H       1.421065000     1.993768000    -0.000013000
14
1H_4pyramidinone_2_3_0
C      -1.314476000    -0.049662000    -0.000134000
O      -2.414287000     0.465741000     0.000046000
C      -0.070626000     0.755149000    -0.000027000
C      -0.152054000     2.255821000     0.000028000
C       1.094243000     0.087174000    -0.000004000
F       2.286739000     0.668487000    -0.000007000
N       1.160798000    -1.282233000     0.000009000
C      -0.014271000    -1.988092000     0.000031000
N      -1.181567000    -1.462457000     0.000007000
H      -1.205815000     2.537285000    -0.000307000
H       0.330169000     2.688891000    -0.882377000
H       0.329553000     2.688794000     0.882820000
H       2.060479000    -1.737166000     0.000021000
H       0.107733000    -3.069620000     0.000061000
16
1H_4pyramidinone_2_3_1
C       0.381020000     1.310271000    -0.000107000
O       0.955464000     2.383684000     0.000009000
C       1.141685000     0.031867000    -0.000005000
C       2.644505000     0.054687000     0.000055000
C       0.423516000    -1.095637000    -0.000006000
F       0.939942000    -2.320121000    -0.000020000
N      -0.953516000    -1.111898000    -0.000012000
C      -1.617829000     0.097117000     0.000030000
N      -2.976567000     0.032371000    -0.000051000
N      -1.018203000     1.240776000     0.000008000
H       2.962358000     1.098333000    -0.000025000
H       3.061610000    -0.441207000    -0.882682000
H       3.061542000    -0.441052000     0.882912000
H      -1.425233000    -2.002015000    -0.000077000
H      -3.491706000    -0.827741000     0.000374000
H      -3.471138000     0.906735000     0.000189000
17
1H_4pyramidinone_2_3_2
C       0.407777000     1.309465000    -0.000259000
O       0.972802000     2.386295000     0.000061000
C       1.162489000     0.034110000    -0.000034000
C       2.664880000     0.051871000     0.000103000
C       0.441206000    -1.096136000    -0.000020000
F       0.963674000    -2.317071000    -0.000023000
N      -0.930063000    -1.101093000    -0.000026000
C      -1.602190000     0.099228000     0.000028000
C      -3.105508000     0.022965000     0.000069000
N      -1.002808000     1.236704000    -0.000006000
H       2.989569000     1.093250000    -0.000040000
H       3.077951000    -0.447710000    -0.882342000
H       3.077796000    -0.447424000     0.882784000
H      -1.415219000    -1.984509000    -0.000023000
H      -3.474478000    -1.006286000     0.000052000
H      -3.496494000     0.538860000    -0.880351000
H      -3.496435000     0.538812000     0.880542000
14
1H_4pyramidinone_2_3_3
C       0.394687000     1.310981000    -0.000138000
O       0.977467000     2.373441000     0.000018000
C       1.116036000     0.014249000    -0.000014000
C       2.619087000    -0.001139000     0.000061000
C       0.374454000    -1.102168000    -0.000015000
F       0.864886000    -2.331255000    -0.000016000
N      -1.003767000    -1.080064000    -0.000021000
C      -1.602750000     0.144252000     0.000024000
F      -2.921159000     0.045966000     0.000038000
N      -1.023777000     1.266541000     0.000011000
H       2.968408000     1.032080000     0.000035000
H       3.019856000    -0.509310000    -0.882762000
H       3.019777000    -0.509252000     0.882954000
H      -1.537587000    -1.935831000    -0.000015000
11
1H_4pyramidinone_3_0_0
C       0.604419000     0.826709000     0.000030000
O       1.623970000     1.480855000     0.000048000
C       0.607891000    -0.647923000    -0.000008000
F       1.782226000    -1.261741000    -0.000046000
C      -0.530824000    -1.366094000     0.000027000
N      -1.732103000    -0.687023000     0.000031000
C      -1.729773000     0.674937000    -0.000027000
N      -0.677175000     1.414492000    -0.000054000
H      -0.557245000    -2.447409000     0.000042000
H      -2.602099000    -1.194727000     0.000074000
H      -2.717775000     1.132905000    -0.000061000
13
1H_4pyramidinone_3_0_1
C      -0.739940000     0.916870000    -0.000063000
O      -1.535843000     1.833738000    -0.000044000
C      -1.179223000    -0.495692000     0.000024000
F      -2.484593000    -0.738818000     0.000084000
C      -0.298786000    -1.506608000    -0.000021000
N       1.056169000    -1.212691000    -0.000051000
C       1.457546000     0.099486000     0.000045000
N       2.800487000     0.324075000    -0.000329000
N       0.640453000     1.107766000     0.000059000
H      -0.579969000    -2.550835000    -0.000060000
H       1.725086000    -1.964410000    -0.000386000
H       3.486688000    -0.406784000     0.001597000
H       3.098938000     1.283089000     0.000782000
14
1H_4pyramidinone_3_0_2
C      -0.758722000     0.919201000    -0.000015000
O      -1.537245000     1.849238000    -0.000010000
C      -1.208221000    -0.484861000     0.000010000
F      -2.513095000    -0.719081000     0.000045000
C      -0.334724000    -1.506734000    -0.000012000
N       1.015039000    -1.216863000    -0.000045000
C       1.439413000     0.082585000    -0.000039000
C       2.928751000     0.306991000     0.000050000
N       0.634142000     1.093568000    -0.000031000
H      -0.628235000    -2.547899000    -0.000011000
H       1.685742000    -1.967781000    -0.000044000
H       3.496373000    -0.627609000    -0.000878000
H       3.209436000     0.889707000     0.880875000
H       3.209252000     0.891391000    -0.879703000
11
1H_4pyramidinone_3_0_3
C       0.750069000     0.909208000     0.000016000
O       1.561064000     1.804965000     0.000005000
C       1.138083000    -0.517506000    -0.000000000
F       2.432114000    -0.796657000    -0.000014000
C       0.226557000    -1.504721000     0.000007000
N      -1.116426000    -1.163687000     0.000009000
C      -1.440902000     0.152693000    -0.000003000
F      -2.750238000     0.343367000    -0.000008000
N      -0.641016000     1.138223000    -0.000007000
H       0.475287000    -2.556441000     0.000008000
H      -1.841435000    -1.863470000     0.000014000
13
1H_4pyramidinone_3_1_0
C       1.343098000    -0.190129000    -0.002881000
O       2.336128000    -0.886833000    -0.000833000
C      -0.012026000    -0.729574000    -0.001104000
F      -0.179977000    -2.059317000     0.011953000
C      -1.119746000     0.052408000    -0.007545000
N      -2.426685000    -0.409456000    -0.083718000
N      -0.929158000     1.419739000     0.002673000
C       0.343722000     1.924453000     0.004789000
N       1.419141000     1.227279000     0.010205000
H      -2.461794000    -1.419634000    -0.036363000
H      -3.054056000     0.000536000     0.598313000
H      -1.721152000     2.029503000    -0.131922000
H       0.394400000     3.012239000     0.005376000
15
1H_4pyramidinone_3_1_1
C      -0.286692000    -1.379243000    -0.000013000
O      -0.772942000    -2.494356000    -0.000010000
C      -1.094076000    -0.167111000     0.000008000
F      -2.437568000    -0.261459000     0.000015000
C      -0.553552000     1.074873000     0.000006000
N      -1.280603000     2.230814000     0.000021000
N       0.829202000     1.175156000     0.000001000
C       1.591121000     0.022853000     0.000009000
N       2.942813000     0.210933000    -0.000067000
N       1.103794000    -1.170909000     0.000004000
H      -2.281201000     2.158361000    -0.000056000
H      -0.860191000     3.139705000    -0.000188000
H       1.261780000     2.084321000    -0.000028000
H       3.381983000     1.111783000     0.000306000
H       3.512023000    -0.616378000     0.000135000
16
1H_4pyramidinone_3_1_2
C      -0.333437000    -1.376744000     0.000056000
O      -0.825304000    -2.488022000    -0.000031000
C      -1.116616000    -0.155721000     0.000021000
F      -2.459838000    -0.226637000    -0.000019000
C      -0.556528000     1.082493000     0.000014000
N      -1.270996000     2.244482000     0.000049000
N       0.822445000     1.151630000     0.000009000
C       1.576312000    -0.002139000    -0.000006000
C       3.071781000     0.188334000    -0.000014000
N       1.070721000    -1.182840000     0.000003000
H      -2.272648000     2.185321000    -0.000118000
H      -0.838494000     3.148102000    -0.000275000
H       1.279564000     2.049258000     0.000034000
H       3.365237000     1.242142000     0.000104000
H       3.501509000    -0.295472000    -0.880568000
H       3.501545000    -0.295685000     0.880403000
13
1H_4pyramidinone_3_1_3
C       0.300610000    -1.382258000    -0.000039000
O       0.795158000    -2.487467000     0.000039000
C       1.070924000    -0.150337000    -0.000032000
F       2.412987000    -0.215878000     0.000011000
C       0.505410000     1.085823000    -0.000032000
N       1.207196000     2.251488000    -0.000160000
N      -0.878843000     1.149763000    -0.000011000
C      -1.578804000    -0.022390000     0.000010000
F      -2.886511000     0.203420000     0.000010000
N      -1.112705000    -1.194557000     0.000016000
H       2.209662000     2.200950000     0.000367000
H       0.766824000     3.151573000     0.000894000
H      -1.374417000     2.027442000    -0.000123000
14
1H_4pyramidinone_3_2_0
C      -1.358985000    -0.203425000    -0.000033000
O      -2.330230000    -0.928928000     0.000022000
C       0.017345000    -0.725357000    -0.000012000
F       0.163471000    -2.048387000    -0.000000000
C       1.109921000     0.069352000    -0.000008000
C       2.527699000    -0.408143000     0.000007000
N       0.877253000     1.435693000     0.000001000
C      -0.395816000     1.919611000     0.000006000
N      -1.463255000     1.203065000     0.000000000
H       2.551813000    -1.497260000    -0.000219000
H       3.064783000    -0.049250000     0.885698000
H       3.064930000    -0.048869000    -0.885439000
H       1.658931000     2.072368000    -0.000001000
H      -0.468828000     3.006386000     0.000010000
16
1H_4pyramidinone_3_2_1
C       0.199616000    -1.404721000     0.000014000
O       0.647471000    -2.534074000     0.000048000
C       1.081703000    -0.220371000    -0.000028000
F       2.397189000    -0.439520000    -0.000049000
C       0.608897000     1.038844000    -0.000016000
C       1.443046000     2.279960000     0.000033000
N      -0.774860000     1.193406000     0.000005000
C      -1.594350000     0.093191000    -0.000035000
N      -2.934657000     0.336373000     0.000186000
N      -1.167377000    -1.131475000    -0.000028000
H       2.499520000     2.013769000    -0.000306000
H       1.240525000     2.894107000     0.885790000
H       1.240040000     2.894496000    -0.885341000
H      -1.156874000     2.125339000     0.000151000
H      -3.333119000     1.256219000    -0.000807000
H      -3.539786000    -0.465204000    -0.000371000
17
1H_4pyramidinone_3_2_2
C      -0.258654000    -1.402651000    -0.000027000
O      -0.724103000    -2.523627000    -0.000005000
C      -1.107249000    -0.200303000     0.000002000
F      -2.426149000    -0.383932000     0.000021000
C      -0.602420000     1.050596000    -0.000001000
C      -1.409015000     2.310768000    -0.000009000
N       0.779794000     1.160239000    -0.000004000
C       1.579780000     0.051849000     0.000007000
C       3.066744000     0.294043000     0.000007000
N       1.123758000    -1.156628000     0.000001000
H      -2.471568000     2.070135000     0.000132000
H      -1.191408000     2.919391000    -0.885555000
H      -1.191198000     2.919532000     0.885388000
H       1.195325000     2.078287000    -0.000009000
H       3.321743000     1.357417000    -0.000051000
H       3.512657000    -0.175778000    -0.880151000
H       3.512639000    -0.175675000     0.880230000
14
1H_4pyramidinone_3_2_3
C       0.191163000    -1.410925000     0.000023000
O       0.633429000    -2.536399000    -0.000005000
C       1.057299000    -0.216457000     0.000003000
F       2.370245000    -0.427827000    -0.000010000
C       0.576890000     1.043427000     0.000002000
C       1.401956000     2.289528000     0.000003000
N      -0.808173000     1.181305000    -0.000001000
C      -1.582798000     0.068880000    -0.000008000
F      -2.874007000     0.362950000    -0.000002000
N      -1.192839000    -1.137982000    -0.000000000
H       2.460293000     2.031070000    -0.000035000
H       1.192995000     2.900692000     0.885639000
H       1.192938000     2.900730000    -0.885592000
H      -1.239776000     2.092623000    -0.000005000
11
1H_4pyramidinone_3_3_0
C       1.335144000    -0.031273000    -0.000011000
O       2.403755000    -0.598942000    -0.000060000
C       0.058854000    -0.765220000     0.000020000
F       0.080161000    -2.089227000     0.000046000
C      -1.112950000    -0.100579000    -0.000010000
F      -2.304459000    -0.666049000    -0.000023000
N      -1.124685000     1.272108000    -0.000018000
C       0.071370000     1.938892000     0.000021000
N       1.224904000     1.379223000     0.000043000
H      -2.010213000     1.755568000    -0.000066000
H      -0.017188000     3.023208000     0.000044000
13
1H_4pyramidinone_3_3_1
C      -0.410997000    -1.331099000    -0.000053000
O      -0.998496000    -2.392141000    -0.000065000
C      -1.145007000    -0.048938000     0.000032000
F      -2.471894000    -0.064731000     0.000089000
C      -0.470098000     1.109607000     0.000006000
F      -1.012721000     2.314503000    -0.000041000
N       0.908886000     1.119981000    -0.000018000
C       1.577027000    -0.086439000     0.000058000
N       2.934628000    -0.017829000    -0.000331000
N       0.983237000    -1.235726000     0.000064000
H       1.376622000     2.012785000    -0.000392000
H       3.448092000     0.843352000     0.001534000
H       3.431978000    -0.890726000     0.000688000
14
1H_4pyramidinone_3_3_2
C      -0.440089000    -1.330111000    -0.000072000
O      -1.020563000    -2.393551000     0.000013000
C      -1.165738000    -0.049102000    -0.000007000
F      -2.490533000    -0.057326000     0.000029000
C      -0.485734000     1.111282000    -0.000003000
F      -1.032320000     2.313189000    -0.000008000
N       0.887296000     1.107194000    -0.000003000
C       1.560537000    -0.091175000     0.000019000
C       3.063363000    -0.012095000     0.000009000
N       0.964915000    -1.233147000     0.000008000
H       1.370531000     1.992363000    -0.000015000
H       3.431003000     1.017391000     0.000086000
H       3.454562000    -0.527553000    -0.880537000
H       3.454572000    -0.527693000     0.880466000
11
1H_4pyramidinone_3_3_3
C       0.437392000    -1.327136000    -0.000038000
O       1.044227000    -2.370823000     0.000037000
C       1.119899000    -0.019744000    -0.000016000
F       2.443055000     0.006526000    -0.000004000
C       0.409322000     1.121950000    -0.000000000
F       0.916106000     2.336672000     0.000008000
N      -0.969026000     1.080623000     0.000006000
C      -1.560258000    -0.146721000    -0.000000000
F      -2.877576000    -0.056103000     0.000004000
N      -0.976434000    -1.269396000    -0.000015000
H      -1.507994000     1.934039000     0.000029000
11
3H_4pyramidinone_0_0_0
C      -1.060708000     0.070738000    -0.000001000
O      -2.273466000     0.001792000    -0.000000000
C      -0.220944000     1.251726000     0.000001000
C       1.133144000     1.134315000    -0.000000000
N       1.819352000    -0.058166000    -0.000001000
C       1.079374000    -1.122210000     0.000001000
N      -0.275145000    -1.109903000     0.000000000
H      -0.714943000     2.214902000     0.000003000
H       1.761154000     2.020985000    -0.000000000
H       1.545195000    -2.104915000    -0.000001000
H      -0.798315000    -1.976245000     0.000001000
13
3H_4pyramidinone_0_0_1
C       1.311991000    -0.394088000    -0.000000000
O       2.258001000    -1.158418000     0.000012000
C       1.300942000     1.046538000     0.000015000
C       0.111527000     1.712780000     0.000013000
N      -1.125195000     1.139028000    -0.000004000
C      -1.141554000    -0.172613000    -0.000046000
N      -2.335247000    -0.817787000    -0.000088000
N      -0.008960000    -0.927471000    -0.000022000
H       2.251821000     1.561184000     0.000033000
H       0.101269000     2.800094000     0.000022000
H      -3.164425000    -0.250713000     0.000303000
H      -2.417999000    -1.817008000     0.000514000
H      -0.046288000    -1.938313000    -0.000063000
14
3H_4pyramidinone_0_0_2
C       1.306891000    -0.451352000     0.000001000
O       2.221341000    -1.252478000     0.000002000
C       1.370367000     0.994473000     0.000009000
C       0.224391000     1.724319000     0.000001000
N      -1.045847000     1.201724000    -0.000011000
C      -1.132972000    -0.097664000    -0.000013000
C      -2.474662000    -0.770637000     0.000009000
N      -0.035696000    -0.902860000    -0.000009000
H       2.349525000     1.455298000     0.000017000
H       0.266750000     2.810370000     0.000005000
H      -3.253251000    -0.009184000    -0.000261000
H      -2.593388000    -1.406691000     0.884158000
H      -2.593205000    -1.407164000    -0.883822000
H      -0.140458000    -1.909684000    -0.000017000
11
3H_4pyramidinone_0_0_3
C      -1.294263000    -0.365556000    -0.000000000
O      -2.269600000    -1.084304000    -0.000001000
C      -1.226080000     1.082440000     0.000002000
C      -0.024604000     1.714163000     0.000000000
N       1.199668000     1.082267000    -0.000002000
C       1.136766000    -0.196661000    -0.000004000
F       2.243483000    -0.912308000     0.000002000
N       0.011668000    -0.938828000     0.000000000
H      -2.161123000     1.626034000     0.000005000
H       0.029862000     2.798339000     0.000001000
H       0.066438000    -1.949548000     0.000002000
13
3H_4pyramidinone_0_1_0
C       1.273351000    -0.488405000    -0.000002000
O       2.358198000    -1.042815000     0.000005000
C      -0.036247000    -1.061570000    -0.000004000
C      -1.158797000    -0.260494000    -0.000010000
N      -2.424742000    -0.750363000    -0.000028000
N      -1.109593000     1.121346000    -0.000001000
C       0.075144000     1.644238000     0.000002000
N       1.223604000     0.941025000     0.000001000
H      -0.107600000    -2.141838000    -0.000002000
H      -2.609374000    -1.736069000     0.000117000
H      -3.189364000    -0.099607000     0.000113000
H       0.174186000     2.727572000     0.000009000
H       2.120974000     1.405791000     0.000006000
15
3H_4pyramidinone_0_1_1
C       0.628536000     1.386829000    -0.000008000
O       1.297593000     2.406988000     0.000018000
C      -0.784769000     1.223548000    -0.000004000
C      -1.338032000    -0.043508000     0.000024000
N      -2.682221000    -0.249935000    -0.000311000
N      -0.610430000    -1.203970000    -0.000018000
C       0.691788000    -1.072365000    -0.000031000
N       1.460981000    -2.192634000     0.000243000
N       1.318416000     0.128835000    -0.000008000
H      -1.397753000     2.114732000    -0.000054000
H      -3.330266000     0.514927000     0.000936000
H      -3.023634000    -1.193657000     0.000956000
H       0.990191000    -3.079395000    -0.000514000
H       2.462947000    -2.163140000    -0.000810000
H       2.325407000     0.207542000     0.000113000
16
3H_4pyramidinone_0_1_2
C       0.025262000     1.531321000     0.000015000
O       0.234879000     2.732583000     0.000003000
C      -1.219808000     0.830567000     0.000028000
C      -1.243687000    -0.546992000     0.000014000
N      -2.392756000    -1.271405000    -0.000168000
N      -0.108385000    -1.333224000    -0.000022000
C       1.034516000    -0.713090000    -0.000022000
C       2.313921000    -1.500671000     0.000023000
N       1.137244000     0.636407000    -0.000024000
H      -2.127969000     1.419487000     0.000013000
H      -3.293937000    -0.831663000     0.000511000
H      -2.326111000    -2.273025000     0.000475000
H       2.080808000    -2.564552000    -0.000537000
H       2.916003000    -1.264419000     0.884096000
H       2.916628000    -1.263579000    -0.883394000
H       2.041597000     1.087842000    -0.000045000
13
3H_4pyramidinone_0_1_3
C       0.950071000     1.173447000    -0.000008000
O       1.832305000     2.009130000     0.000016000
C      -0.468865000     1.343268000    -0.000006000
C      -1.312534000     0.253173000    -0.000024000
N      -2.664149000     0.353470000    -0.000047000
N      -0.866562000    -1.056416000    -0.000011000
C       0.405387000    -1.198202000    -0.000009000
F       0.917554000    -2.415085000     0.000016000
N       1.318744000    -0.218179000    -0.000006000
H      -0.849002000     2.355962000     0.000007000
H      -3.124701000     1.244423000     0.000227000
H      -3.210144000    -0.489299000     0.000215000
H       2.306832000    -0.430602000     0.000006000
14
3H_4pyramidinone_0_2_0
C       1.284087000    -0.515285000     0.000005000
O       2.332856000    -1.130275000     0.000014000
C      -0.065296000    -1.035214000    -0.000032000
C      -1.148182000    -0.206047000    -0.000038000
C      -2.557836000    -0.720950000     0.000021000
N      -1.039888000     1.173614000    -0.000008000
C       0.161559000     1.653856000    -0.000002000
N       1.287141000     0.902226000     0.000009000
H      -0.172942000    -2.112622000    -0.000046000
H      -2.592863000    -1.811955000    -0.000385000
H      -3.092944000    -0.344453000    -0.878143000
H      -3.092615000    -0.345163000     0.878700000
H       0.310720000     2.731436000     0.000010000
H       2.201034000     1.335914000     0.000018000
16
3H_4pyramidinone_0_2_1
C       0.694589000     1.365738000     0.000000000
O       1.369626000     2.378679000    -0.000009000
C      -0.737208000     1.228422000    -0.000012000
C      -1.320205000    -0.008729000    -0.000006000
C      -2.813150000    -0.179958000    -0.000004000
N      -0.617138000    -1.185467000     0.000002000
C       0.688061000    -1.089571000     0.000032000
N       1.433622000    -2.224660000     0.000058000
N       1.346437000     0.100997000     0.000017000
H      -1.322867000     2.137665000    -0.000031000
H      -3.332714000     0.780063000    -0.000171000
H      -3.123528000    -0.754896000     0.878916000
H      -3.123498000    -0.755203000    -0.878731000
H       0.940209000    -3.099471000    -0.000210000
H       2.436176000    -2.220757000    -0.000353000
H       2.356248000     0.151670000     0.000043000
17
3H_4pyramidinone_0_2_2
C       0.347415000     1.501001000    -0.000001000
O       0.758211000     2.646296000     0.000008000
C      -1.019633000     1.034779000    -0.000007000
C      -1.306865000    -0.297771000    -0.000007000
C      -2.715960000    -0.816335000     0.000008000
N      -0.336718000    -1.281266000    -0.000015000
C       0.903758000    -0.892722000    -0.000012000
C       2.015556000    -1.902184000     0.000008000
N       1.260917000     0.419392000    -0.000001000
H      -1.796903000     1.788201000    -0.000013000
H      -3.448036000    -0.006553000    -0.000272000
H      -2.881459000    -1.448840000     0.878586000
H      -2.881298000    -1.449341000    -0.878235000
H       1.586684000    -2.903229000    -0.000066000
H       2.651871000    -1.783003000     0.883919000
H       2.651990000    -1.782915000    -0.883803000
H       2.236446000     0.687827000     0.000006000
14
3H_4pyramidinone_0_2_3
C       0.894283000     1.227486000    -0.000000000
O       1.695078000     2.138154000     0.000002000
C      -0.550882000     1.287352000    -0.000001000
C      -1.309945000     0.155998000    -0.000001000
C      -2.809019000     0.185712000     0.000001000
N      -0.764828000    -1.117978000    -0.000001000
C       0.512092000    -1.171052000    -0.000002000
F       1.122658000    -2.340815000     0.000002000
N       1.355772000    -0.121488000    -0.000001000
H      -0.998297000     2.272316000    -0.000001000
H      -3.194742000     1.206514000    -0.000016000
H      -3.192216000    -0.343952000     0.878496000
H      -3.192219000    -0.343984000    -0.878473000
H       2.357156000    -0.265513000     0.000001000
11
3H_4pyramidinone_0_3_0
C       1.260691000    -0.459623000    -0.000003000
O       2.349795000    -0.993576000    -0.000000000
C      -0.046686000    -1.070236000     0.000002000
C      -1.150253000    -0.275538000     0.000004000
F      -2.352898000    -0.824323000    -0.000002000
N      -1.169217000     1.079679000    -0.000001000
C       0.001798000     1.642351000     0.000002000
N       1.166423000     0.964869000    -0.000000000
H      -0.118991000    -2.148603000     0.000003000
H       0.071930000     2.726738000    -0.000003000
H       2.051029000     1.455823000    -0.000002000
13
3H_4pyramidinone_0_3_1
C       0.315088000     1.474799000     0.000025000
O       0.378317000     2.688186000    -0.000017000
C       1.373721000     0.506469000    -0.000001000
C       1.043550000    -0.816739000    -0.000018000
F       2.012129000    -1.721688000     0.000001000
N      -0.187940000    -1.352060000     0.000015000
C      -1.177049000    -0.486364000     0.000039000
N      -2.448591000    -0.950354000    -0.000109000
N      -0.976529000     0.854455000     0.000017000
H       2.399700000     0.842266000    -0.000017000
H      -2.578310000    -1.946775000     0.000156000
H      -3.249435000    -0.346700000     0.000302000
H      -1.748100000     1.507630000    -0.000046000
14
3H_4pyramidinone_0_3_2
C       0.592271000     1.396355000    -0.000003000
O       0.885464000     2.574508000     0.000002000
C       1.463609000     0.248195000     0.000004000
C       0.908237000    -0.992297000     0.000006000
F       1.691239000    -2.059533000    -0.000002000
N      -0.411471000    -1.290103000    -0.000003000
C      -1.225060000    -0.269574000    -0.000008000
C      -2.708820000    -0.489803000     0.000004000
N      -0.779482000     1.009166000    -0.000004000
H       2.533453000     0.399368000     0.000005000
H      -2.911001000    -1.559887000    -0.000059000
H      -3.169157000    -0.035661000    -0.884131000
H      -3.169122000    -0.035778000     0.884219000
H      -1.433781000     1.780996000    -0.000003000
11
3H_4pyramidinone_0_3_3
C      -0.935957000     1.163802000    -0.000002000
O      -1.811536000     1.999081000     0.000003000
C       0.495725000     1.343353000    -0.000001000
C       1.301235000     0.249308000     0.000001000
F       2.612236000     0.393929000     0.000003000
N       0.901807000    -1.047993000    -0.000004000
C      -0.372019000    -1.207191000    -0.000010000
F      -0.873686000    -2.422296000     0.000007000
N      -1.288619000    -0.227905000    -0.000002000
H       0.895343000     2.346716000     0.000001000
H      -2.276221000    -0.448410000     0.000002000
13
3H_4pyramidinone_1_0_0
C      -0.481823000     0.820163000    -0.000027000
O      -1.399525000     1.629591000     0.000047000
C      -0.656436000    -0.633688000    -0.000083000
N      -1.956774000    -1.035149000    -0.000385000
C       0.457104000    -1.435751000     0.000017000
N       1.744328000    -0.961703000     0.000039000
C       1.902255000     0.318445000     0.000013000
N       0.852645000     1.200354000    -0.000004000
H      -2.658439000    -0.314255000     0.001052000
H      -2.221150000    -2.001701000     0.001395000
H       0.355279000    -2.517717000     0.000050000
H       2.893998000     0.759177000     0.000018000
H       1.018522000     2.198233000     0.000029000
15
3H_4pyramidinone_1_0_1
C      -0.738888000     0.854222000    -0.000046000
O      -1.467271000     1.837956000     0.000032000
C      -1.187347000    -0.529086000    -0.000080000
N      -2.550758000    -0.687436000    -0.000313000
C      -0.240843000    -1.517846000    -0.000010000
N       1.115274000    -1.308911000     0.000020000
C       1.523738000    -0.076941000    -0.000029000
N       2.860134000     0.211789000    -0.000202000
N       0.652593000     0.983873000    -0.000037000
H      -3.111363000     0.145736000     0.001171000
H      -2.984399000    -1.589648000     0.001451000
H      -0.544104000    -2.561956000     0.000012000
H       3.498339000    -0.562576000     0.000705000
H       3.218253000     1.147185000     0.001223000
H       0.980783000     1.940314000    -0.000102000
16
3H_4pyramidinone_1_0_2
C      -0.745835000     0.861018000    -0.000001000
O      -1.478581000     1.841529000     0.000002000
C      -1.211512000    -0.525006000    -0.000003000
N      -2.567691000    -0.658356000    -0.000015000
C      -0.278653000    -1.528803000     0.000001000
N       1.077744000    -1.322708000     0.000001000
C       1.507937000    -0.101885000     0.000000000
C       2.973931000     0.215244000     0.000001000
N       0.637857000     0.964978000    -0.000000000
H      -3.110838000     0.188102000     0.000044000
H      -3.019947000    -1.552339000     0.000057000
H      -0.591889000    -2.569685000     0.000002000
H       3.533903000    -0.719373000    -0.000001000
H       3.257710000     0.798629000     0.884121000
H       3.257710000     0.798631000    -0.884118000
H       0.991422000     1.912998000     0.000001000
13
3H_4pyramidinone_1_0_3
C      -0.709735000     0.860214000    -0.000033000
O      -1.448431000     1.830740000     0.000043000
C      -1.154158000    -0.535792000    -0.000084000
N      -2.509938000    -0.685602000    -0.000394000
C      -0.213108000    -1.529576000     0.000013000
N       1.147927000    -1.303918000     0.000028000
C       1.516476000    -0.087658000     0.000000000
F       2.798455000     0.245442000     0.000024000
N       0.681076000     0.987084000    -0.000011000
H      -3.066457000     0.151721000     0.001155000
H      -2.950127000    -1.585510000     0.001484000
H      -0.507632000    -2.574180000     0.000038000
H       1.055272000     1.926994000     0.000024000
15
3H_4pyramidinone_1_1_0
C       1.261372000     0.256811000    -0.010680000
O       2.273750000     0.947290000    -0.029313000
C      -0.093046000     0.732229000     0.001864000
N      -0.309685000     2.124006000    -0.037086000
C      -1.137570000    -0.167705000     0.002100000
N      -2.444553000     0.276456000     0.024224000
N      -0.965554000    -1.529426000     0.028218000
C       0.254829000    -1.960513000     0.023219000
N       1.340617000    -1.150694000    -0.007783000
H       0.591301000     2.593486000    -0.026008000
H      -0.866759000     2.450915000     0.746673000
H      -2.586093000     1.167394000    -0.434149000
H      -3.113947000    -0.433733000    -0.235500000
H       0.450587000    -3.028838000     0.040183000
H       2.275626000    -1.534879000    -0.008722000
17
3H_4pyramidinone_1_1_1
C      -0.387242000    -1.302808000    -0.002132000
O      -0.841380000    -2.440503000    -0.034033000
C      -1.119153000    -0.077523000     0.017070000
N      -2.543096000    -0.108012000    -0.018715000
C      -0.436766000     1.122831000     0.000422000
N      -1.128169000     2.309541000     0.015935000
N       0.928087000     1.231664000     0.025129000
C       1.604906000     0.118540000     0.005081000
N       2.981686000     0.160928000    -0.053879000
N       1.018956000    -1.106421000    -0.016419000
H      -2.826630000    -1.061377000    -0.230768000
H      -2.938894000     0.118292000     0.891290000
H      -2.071570000     2.238229000    -0.342179000
H      -0.597502000     3.107323000    -0.299616000
H       3.345486000     1.079457000     0.154209000
H       3.481133000    -0.585696000     0.406311000
H       1.566296000    -1.952348000    -0.093982000
18
3H_4pyramidinone_1_1_2
C      -0.396501000    -1.304472000    -0.011733000
O      -0.862709000    -2.438351000    -0.028041000
C      -1.139387000    -0.078507000     0.003833000
N      -2.549156000    -0.145207000    -0.028883000
C      -0.465793000     1.122663000    -0.000754000
N      -1.161686000     2.315040000     0.025553000
N       0.901968000     1.230347000     0.016797000
C       1.590757000     0.128576000     0.008122000
C       3.091273000     0.167700000     0.021823000
N       0.997174000    -1.095714000    -0.017741000
H      -2.823510000    -1.123727000    -0.038504000
H      -2.972899000     0.305639000     0.776979000
H      -2.070318000     2.271011000    -0.417708000
H      -0.603887000     3.110929000    -0.248796000
H       3.419238000     1.206288000     0.040666000
H       3.507656000    -0.322346000    -0.865525000
H       3.490660000    -0.348747000     0.902098000
H       1.554539000    -1.939261000    -0.022711000
15
3H_4pyramidinone_1_1_3
C       0.316983000    -1.314230000     0.007454000
O       0.738606000    -2.460860000     0.030069000
C       1.090110000    -0.107485000    -0.006993000
N       2.504264000    -0.198786000     0.027668000
C       0.457374000     1.117147000     0.001296000
N       1.181386000     2.281893000    -0.017321000
N      -0.912118000     1.266689000    -0.019879000
C      -1.587336000     0.181984000    -0.010377000
F      -2.907740000     0.228344000    -0.020694000
N      -1.083349000    -1.065609000     0.015470000
H       2.756722000    -1.175861000     0.149430000
H       2.923183000     0.122302000    -0.841589000
H       2.115067000     2.198820000     0.362483000
H       0.667103000     3.102953000     0.264182000
H      -1.695334000    -1.870229000     0.021341000
16
3H_4pyramidinone_1_2_0
C      -1.274994000     0.285815000     0.004151000
O      -2.243109000     1.035351000    -0.008429000
C       0.116005000     0.717044000     0.013003000
N       0.294130000     2.087119000     0.074117000
C       1.127443000    -0.214114000     0.000932000
C       2.569327000     0.210909000     0.006125000
N       0.881992000    -1.569403000    -0.009733000
C      -0.348130000    -1.959897000    -0.005813000
N      -1.408215000    -1.099361000     0.002680000
H      -0.560615000     2.588955000    -0.131721000
H       1.112825000     2.460022000    -0.380982000
H       2.767249000     0.925828000     0.813757000
H       2.851791000     0.702017000    -0.935404000
H       3.210403000    -0.661675000     0.136646000
H      -0.592159000    -3.017850000    -0.008513000
H      -2.357872000    -1.447139000    -0.006180000
18
3H_4pyramidinone_1_2_1
C       0.289220000    -1.336096000     0.005302000
O       0.708262000    -2.486407000     0.001119000
C       1.104390000    -0.138164000     0.003721000
N       2.486388000    -0.352427000     0.058463000
C       0.500374000     1.093193000     0.007071000
C       1.320691000     2.352290000     0.024436000
N      -0.866309000     1.259291000    -0.022239000
C      -1.607082000     0.194959000    -0.001992000
N      -2.987165000     0.297375000     0.063234000
N      -1.084197000    -1.067478000     0.021504000
H       2.692370000    -1.330652000    -0.111393000
H       3.031296000     0.251030000    -0.541752000
H       2.161641000     2.258172000     0.720023000
H       0.697450000     3.198468000     0.317711000
H       1.741537000     2.574511000    -0.965979000
H      -3.289414000     1.245817000    -0.111954000
H      -3.506921000    -0.379023000    -0.479346000
H      -1.680628000    -1.881488000     0.085778000
19
3H_4pyramidinone_1_2_2
C      -0.306750000    -1.337791000    -0.005033000
O      -0.739593000    -2.483542000     0.008567000
C      -1.123549000    -0.134982000    -0.013394000
N      -2.490609000    -0.358276000    -0.074083000
C      -0.520223000     1.097952000    -0.002498000
C      -1.339924000     2.358416000    -0.007121000
N       0.848058000     1.255080000     0.008416000
C       1.595418000     0.196913000     0.003619000
C       3.092245000     0.301265000     0.004775000
N       1.057770000    -1.064300000    -0.004982000
H      -2.717790000    -1.323581000     0.131394000
H      -3.074489000     0.306705000     0.410082000
H      -2.099585000     2.331440000    -0.797332000
H      -0.690457000     3.220589000    -0.163506000
H      -1.870217000     2.501978000     0.944599000
H       3.370840000     1.354248000     0.025153000
H       3.524766000    -0.163310000    -0.889143000
H       3.526510000    -0.198856000     0.878501000
H       1.657342000    -1.879035000     0.004180000
16
3H_4pyramidinone_1_2_3
C       0.192479000    -1.346416000     0.006252000
O       0.556615000    -2.511383000    -0.004053000
C       1.070451000    -0.184596000     0.010875000
N       2.427227000    -0.479838000     0.068327000
C       0.539677000     1.079767000     0.004586000
C       1.420629000     2.295562000     0.013991000
N      -0.825125000     1.310706000    -0.009878000
C      -1.582363000     0.288323000    -0.004259000
F      -2.899939000     0.416456000    -0.010124000
N      -1.165705000    -1.001909000     0.008761000
H       2.598356000    -1.459756000    -0.122496000
H       3.034408000     0.134861000    -0.453032000
H       2.229805000     2.185033000     0.744619000
H       0.831460000     3.180055000     0.259340000
H       1.887864000     2.464147000    -0.966002000
H      -1.835386000    -1.759945000     0.001968000
13
3H_4pyramidinone_1_3_0
C       1.254009000     0.194002000    -0.000002000
O       2.284597000     0.852196000     0.000002000
C      -0.087913000     0.753844000    -0.000004000
N      -0.179181000     2.112137000    -0.000017000
C      -1.140857000    -0.122899000     0.000000000
F      -2.381218000     0.381154000     0.000001000
N      -1.059055000    -1.465157000     0.000001000
C       0.133001000    -1.972326000     0.000001000
N       1.258368000    -1.203402000     0.000000000
H       0.679689000     2.633966000     0.000050000
H      -1.067033000     2.575684000     0.000062000
H       0.276575000    -3.046885000     0.000002000
H       2.174595000    -1.631493000     0.000002000
15
3H_4pyramidinone_1_3_1
C       0.440136000     1.269817000    -0.000534000
O       0.956646000     2.377009000     0.024919000
C       1.144295000     0.008361000    -0.019981000
N       2.535780000     0.051038000    -0.096430000
C       0.386684000    -1.127241000    -0.005755000
F       1.013339000    -2.306372000     0.013537000
N      -0.957865000    -1.206330000     0.015339000
C      -1.604302000    -0.076220000    -0.002785000
N      -2.981095000    -0.062421000    -0.074698000
N      -0.961036000     1.125688000    -0.012063000
H       2.885692000     0.952993000     0.202908000
H       2.998876000    -0.718608000     0.365709000
H      -3.379427000    -0.973796000     0.101380000
H      -3.454960000     0.681431000     0.417096000
H      -1.474771000     1.995140000    -0.058980000
16
3H_4pyramidinone_1_3_2
C       0.444551000     1.273806000    -0.000001000
O       0.969711000     2.378686000     0.000022000
C       1.162959000     0.012151000    -0.000061000
N       2.524462000     0.081832000    -0.000235000
C       0.413856000    -1.132633000    -0.000012000
F       1.057837000    -2.307678000     0.000021000
N      -0.928684000    -1.211889000     0.000008000
C      -1.593062000    -0.094292000     0.000003000
C      -3.091616000    -0.078480000     0.000009000
N      -0.943680000     1.110484000     0.000003000
H       2.941446000     0.995806000     0.000710000
H       3.089038000    -0.745138000     0.000827000
H      -3.454500000    -1.105716000    -0.000057000
H      -3.484964000     0.436851000    -0.884016000
H      -3.484958000     0.436732000     0.884106000
H      -1.469093000     1.974783000     0.000017000
13
3H_4pyramidinone_1_3_3
C       0.378983000     1.280573000    -0.000007000
O       0.876730000     2.393613000     0.000028000
C       1.117772000     0.028753000    -0.000078000
N       2.479405000     0.124592000    -0.000300000
C       0.395610000    -1.131574000    -0.000019000
F       1.052125000    -2.293857000     0.000026000
N      -0.953464000    -1.235207000     0.000010000
C      -1.592147000    -0.129660000     0.000007000
F      -2.911917000    -0.108006000     0.000013000
N      -1.016254000     1.095591000     0.000005000
H       2.881757000     1.044749000     0.000921000
H       3.059332000    -0.691637000     0.001059000
H      -1.585916000     1.931374000     0.000027000
14
3H_4pyramidinone_2_0_0
C       0.384648000     0.883600000    -0.000004000
O       1.156329000     1.826217000    -0.000016000
C       0.712305000    -0.536636000    -0.000026000
C       2.167100000    -0.923709000     0.000023000
C      -0.309920000    -1.439336000    -0.000042000
N      -1.651375000    -1.138876000     0.000015000
C      -1.939527000     0.123053000     0.000034000
N      -1.008413000     1.108174000    -0.000010000
H       2.782761000    -0.023001000    -0.002022000
H       2.422782000    -1.520727000    -0.881583000
H       2.423678000    -1.517116000     0.883822000
H      -0.086043000    -2.503981000    -0.000103000
H      -2.977410000     0.446741000     0.000073000
H      -1.285516000     2.081430000    -0.000008000
16
3H_4pyramidinone_2_0_1
C      -0.710331000     0.891427000     0.000029000
O      -1.360801000     1.923381000    -0.000008000
C      -1.191301000    -0.474810000     0.000018000
C      -2.679674000    -0.708768000    -0.000010000
C      -0.262902000    -1.477347000     0.000007000
N       1.094324000    -1.335186000     0.000023000
C       1.536814000    -0.103648000     0.000031000
N       2.875550000     0.126729000    -0.000243000
N       0.704470000     0.974130000     0.000007000
H      -3.195433000     0.253237000     0.000190000
H      -3.003817000    -1.270665000     0.882772000
H      -3.003843000    -1.270291000    -0.883024000
H      -0.600871000    -2.512303000    -0.000011000
H       3.479955000    -0.675345000     0.000437000
H       3.273479000     1.046794000     0.000867000
H       1.060896000     1.920690000    -0.000123000
17
3H_4pyramidinone_2_0_2
C      -0.715786000     0.897272000    -0.000002000
O      -1.364269000     1.929544000     0.000002000
C      -1.216810000    -0.469190000     0.000001000
C      -2.707685000    -0.677640000    -0.000003000
C      -0.307660000    -1.484602000     0.000002000
N       1.058470000    -1.348928000     0.000001000
C       1.518668000    -0.132669000     0.000005000
C       2.996261000     0.129737000    -0.000005000
N       0.693083000     0.950297000     0.000003000
H      -3.209186000     0.291465000     0.000123000
H      -3.035393000    -1.237012000     0.882594000
H      -3.035419000    -1.236783000    -0.882737000
H      -0.655800000    -2.515682000     0.000006000
H       3.524383000    -0.822799000    -0.000021000
H       3.293393000     0.705095000     0.883955000
H       3.293379000     0.705116000    -0.883956000
H       1.075995000     1.887213000     0.000001000
14
3H_4pyramidinone_2_0_3
C       0.677360000     0.899061000    -0.000001000
O       1.331565000     1.922765000    -0.000004000
C       1.160310000    -0.476597000    -0.000004000
C       2.649767000    -0.699104000     0.000008000
C       0.245683000    -1.485196000    -0.000008000
N      -1.124113000    -1.335682000    -0.000002000
C      -1.528434000    -0.123222000     0.000000000
F      -2.818737000     0.151104000     0.000009000
N      -0.740037000     0.970825000    -0.000005000
H       3.160571000     0.265061000    -0.000386000
H       2.971971000    -1.260668000    -0.882824000
H       2.972063000    -1.259959000     0.883260000
H       0.580014000    -2.519290000    -0.000020000
H      -1.147568000     1.897146000    -0.000005000
16
3H_4pyramidinone_2_1_0
C       1.251676000     0.324024000    -0.000016000
O       2.249947000     1.029053000    -0.000014000
C      -0.125250000     0.731678000     0.000007000
C      -0.436904000     2.202215000     0.000017000
C      -1.112295000    -0.237846000     0.000029000
N      -2.436310000     0.071459000     0.000057000
N      -0.871107000    -1.597908000     0.000010000
C       0.372683000    -1.953092000     0.000004000
N       1.407569000    -1.090008000    -0.000006000
H       0.498381000     2.764325000     0.000003000
H      -1.014342000     2.502505000     0.885008000
H      -1.014366000     2.502518000    -0.884955000
H      -2.756639000     1.021058000    -0.000326000
H      -3.101748000    -0.680336000    -0.000275000
H       0.625350000    -3.010864000    -0.000002000
H       2.363262000    -1.418309000    -0.000012000
18
3H_4pyramidinone_2_1_1
C      -0.372430000    -1.310211000    -0.000020000
O      -0.780377000    -2.463818000    -0.000001000
C      -1.123939000    -0.094987000     0.000002000
C      -2.625768000    -0.173434000     0.000027000
C      -0.434278000     1.107547000     0.000011000
N      -1.085983000     2.302748000     0.000045000
N       0.930589000     1.235426000     0.000001000
C       1.618047000     0.124779000    -0.000024000
N       2.976602000     0.189097000    -0.000059000
N       1.039510000    -1.100911000    -0.000019000
H      -2.924208000    -1.223461000     0.000036000
H      -3.070736000     0.302686000    -0.884989000
H      -3.070705000     0.302700000     0.885049000
H      -2.086563000     2.354833000    -0.000213000
H      -0.540997000     3.145457000    -0.000189000
H       3.398628000     1.099967000     0.000240000
H       3.558893000    -0.626673000     0.000374000
H       1.583879000    -1.951651000    -0.000045000
19
3H_4pyramidinone_2_1_2
C      -0.386022000    -1.311862000    -0.000038000
O      -0.801634000    -2.462028000    -0.000021000
C      -1.143694000    -0.093833000     0.000004000
C      -2.644307000    -0.178408000     0.000036000
C      -0.462337000     1.108938000     0.000043000
N      -1.105526000     2.307881000     0.000118000
N       0.911680000     1.232083000     0.000022000
C       1.600898000     0.131106000     0.000005000
C       3.102013000     0.180990000     0.000003000
N       1.017498000    -1.090692000    -0.000011000
H      -2.940863000    -1.228681000     0.000086000
H      -3.086585000     0.299507000    -0.884864000
H      -3.086541000     0.299601000     0.884903000
H      -2.105718000     2.370011000    -0.000638000
H      -0.552398000     3.145632000    -0.000520000
H       3.425613000     1.221031000     0.000171000
H       3.509410000    -0.321925000    -0.883949000
H       3.509437000    -0.322231000     0.883765000
H       1.575850000    -1.933206000    -0.000010000
16
3H_4pyramidinone_2_1_3
C       0.309179000     1.320798000    -0.000029000
O       0.688912000     2.479091000    -0.000023000
C       1.094129000     0.119203000     0.000010000
C       2.592540000     0.243317000     0.000026000
C       0.450478000    -1.104432000     0.000055000
N       1.123066000    -2.283447000     0.000111000
N      -0.923265000    -1.264614000     0.000023000
C      -1.598659000    -0.179828000     0.000010000
F      -2.918380000    -0.234728000    -0.000009000
N      -1.099589000     1.064139000    -0.000006000
H       2.861885000     1.300822000     0.000005000
H       3.046932000    -0.221616000    -0.885308000
H       3.046904000    -0.221590000     0.885385000
H       2.124889000    -2.315913000    -0.000604000
H       0.596174000    -3.138201000    -0.000520000
H      -1.710142000     1.869426000    -0.000015000
17
3H_4pyramidinone_2_2_0
C       1.275150000     0.310206000     0.000000000
O       2.259747000     1.030027000    -0.000007000
C      -0.123127000     0.721581000    -0.000016000
C      -0.379587000     2.207224000     0.000015000
C      -1.102574000    -0.237561000    -0.000038000
C      -2.570067000     0.088480000    -0.000004000
N      -0.846242000    -1.597830000    -0.000008000
C       0.393450000    -1.958514000     0.000008000
N       1.431498000    -1.089670000     0.000010000
H       0.576793000     2.731885000     0.000253000
H      -0.946144000     2.523185000     0.882547000
H      -0.945728000     2.523289000    -0.882751000
H      -2.767078000     1.160157000    -0.001003000
H      -3.046716000    -0.360243000     0.878190000
H      -3.047117000    -0.362038000    -0.877043000
H       0.653554000    -3.014540000     0.000035000
H       2.388199000    -1.417900000     0.000013000
19
3H_4pyramidinone_2_2_1
C      -0.304216000    -1.338175000     0.000006000
O      -0.684160000    -2.498846000    -0.000003000
C      -1.111396000    -0.134871000     0.000004000
C      -2.607854000    -0.326980000     0.000001000
C      -0.475019000     1.082310000     0.000001000
C      -1.225914000     2.386506000    -0.000003000
N       0.888212000     1.249031000     0.000006000
C       1.621242000     0.169937000     0.000004000
N       2.976392000     0.279628000    -0.000046000
N       1.086004000    -1.080563000    -0.000002000
H      -2.824290000    -1.396642000     0.000011000
H      -3.082410000     0.115791000    -0.882850000
H      -3.082416000     0.115809000     0.882840000
H      -2.307371000     2.253130000     0.000012000
H      -0.940280000     2.975893000    -0.877964000
H      -0.940258000     2.975912000     0.877939000
H       3.363038000     1.206366000     0.000094000
H       3.589674000    -0.513260000     0.000177000
H       1.662266000    -1.911266000    -0.000027000
20
3H_4pyramidinone_2_2_2
C      -0.321176000    -1.339919000    -0.000004000
O      -0.713821000    -2.495491000    -0.000000000
C      -1.130685000    -0.130306000     0.000000000
C      -2.625656000    -0.324604000     0.000002000
C      -0.499509000     1.085442000    -0.000000000
C      -1.242529000     2.392969000    -0.000002000
N       0.873762000     1.242776000     0.000003000
C       1.605394000     0.171936000     0.000005000
C       3.103770000     0.266458000    -0.000002000
N       1.060843000    -1.074185000     0.000001000
H      -2.843061000    -1.393717000     0.000021000
H      -3.096229000     0.121999000    -0.882610000
H      -3.096234000     0.122035000     0.882592000
H      -2.324889000     2.266292000     0.000013000
H      -0.953200000     2.981065000    -0.877633000
H      -0.953177000     2.981081000     0.877611000
H       3.392576000     1.316615000     0.000024000
H       3.528070000    -0.222949000    -0.883852000
H       3.528082000    -0.222998000     0.883816000
H       1.648743000    -1.897487000    -0.000002000
17
3H_4pyramidinone_2_2_3
C      -0.220393000    -1.348891000     0.000003000
O      -0.558537000    -2.517337000     0.000002000
C      -1.078181000    -0.170288000    -0.000003000
C      -2.563757000    -0.429326000    -0.000002000
C      -0.506071000     1.073331000    -0.000005000
C      -1.301535000     2.346936000     0.000004000
N       0.864043000     1.290310000    -0.000003000
C       1.597406000     0.247773000    -0.000004000
F       2.913527000     0.357424000     0.000002000
N       1.159089000    -1.025466000     0.000001000
H      -2.735529000    -1.506641000    -0.000005000
H      -3.052679000    -0.004298000    -0.882948000
H      -3.052677000    -0.004303000     0.882947000
H      -2.376987000     2.173288000    -0.000061000
H      -1.036269000     2.946103000    -0.877659000
H      -1.036370000     2.946029000     0.877750000
H       1.810329000    -1.799421000     0.000002000
14
3H_4pyramidinone_2_3_0
C      -1.219489000     0.378682000     0.000005000
O      -2.173765000     1.133657000    -0.000002000
C       0.188941000     0.727624000    -0.000002000
C       0.589575000     2.174941000    -0.000007000
C       1.086195000    -0.299112000     0.000008000
F       2.382074000    -0.012854000    -0.000008000
N       0.823682000    -1.627734000     0.000006000
C      -0.436036000    -1.937486000     0.000006000
N      -1.429766000    -1.024654000    -0.000009000
H      -0.308111000     2.794474000    -0.001259000
H       1.191817000     2.422689000    -0.880105000
H       1.189634000     2.423318000     0.881420000
H      -0.735189000    -2.981780000     0.000010000
H      -2.399222000    -1.313455000    -0.000011000
16
3H_4pyramidinone_2_3_1
C       0.413622000     1.286128000    -0.000024000
O       0.860227000     2.419561000     0.000014000
C       1.137633000     0.038863000    -0.000001000
C       2.640770000     0.048649000     0.000020000
C       0.388190000    -1.103448000     0.000002000
F       1.023140000    -2.272020000     0.000001000
N      -0.950450000    -1.226589000    -0.000008000
C      -1.618242000    -0.098145000    -0.000034000
N      -2.973138000    -0.132729000    -0.000064000
N      -1.001084000     1.110158000    -0.000019000
H       2.988560000     1.082983000     0.000042000
H       3.049835000    -0.456950000    -0.881166000
H       3.049813000    -0.456984000     0.881196000
H      -3.414017000    -1.035484000     0.000262000
H      -3.539729000     0.694499000     0.000446000
H      -1.523667000     1.975458000    -0.000042000
17
3H_4pyramidinone_2_3_2
C       0.419939000     1.289096000     0.000007000
O       0.870950000     2.420278000    -0.000000000
C       1.156196000     0.040963000     0.000000000
C       2.657723000     0.065483000    -0.000005000
C       0.420262000    -1.105708000    -0.000003000
F       1.058020000    -2.271278000     0.000004000
N      -0.926413000    -1.228925000     0.000001000
C      -1.600946000    -0.114050000     0.000003000
C      -3.100514000    -0.131739000    -0.000005000
N      -0.983947000     1.093440000     0.000002000
H       2.997537000     1.102076000     0.000017000
H       3.066846000    -0.440151000    -0.880789000
H       3.066853000    -0.440193000     0.880751000
H      -3.444564000    -1.165050000    -0.000034000
H      -3.497118000     0.379444000    -0.884021000
H      -3.497124000     0.379394000     0.884038000
H      -1.525640000     1.947891000    -0.000002000
14
3H_4pyramidinone_2_3_3
C       0.353154000     1.296345000     0.000016000
O       0.778396000     2.433266000    -0.000001000
C       1.108889000     0.057960000     0.000002000
C       2.610444000     0.111471000    -0.000012000
C       0.400549000    -1.104973000    -0.000002000
F       1.053752000    -2.256387000     0.000007000
N      -0.948970000    -1.253411000     0.000002000
C      -1.600778000    -0.150377000     0.000003000
F      -2.916091000    -0.164096000    -0.000013000
N      -1.057226000     1.077715000     0.000007000
H       2.930444000     1.154251000     0.000011000
H       3.028882000    -0.385092000    -0.881233000
H       3.028903000    -0.385141000     0.881171000
H      -1.644522000     1.901517000     0.000002000
11
3H_4pyramidinone_3_0_0
C       0.579431000     0.803667000     0.000001000
O       1.507978000     1.582930000    -0.000004000
C       0.629499000    -0.651184000     0.000001000
F       1.836155000    -1.199503000     0.000002000
C      -0.496680000    -1.406991000    -0.000001000
N      -1.765174000    -0.877983000    -0.000002000
C      -1.842637000     0.413048000     0.000000000
N      -0.762239000     1.238776000     0.000003000
H      -0.418822000    -2.489878000    -0.000002000
H      -2.813234000     0.901112000    -0.000001000
H      -0.882954000     2.244066000     0.000003000
13
3H_4pyramidinone_3_0_1
C      -0.788352000     0.876336000     0.000018000
O      -1.490682000     1.866433000    -0.000007000
C      -1.183472000    -0.515057000     0.000012000
F      -2.490775000    -0.772961000     0.000005000
C      -0.258162000    -1.508392000    -0.000009000
N       1.092750000    -1.307739000     0.000020000
C       1.492048000    -0.063074000     0.000025000
N       2.821807000     0.215330000    -0.000214000
N       0.623318000     0.991813000    -0.000003000
H      -0.590041000    -2.542867000    -0.000025000
H       3.455280000    -0.564001000     0.000417000
H       3.187032000     1.148738000     0.000855000
H       0.952664000     1.948608000    -0.000141000
14
3H_4pyramidinone_3_0_2
C       0.791889000     0.885111000    -0.000002000
O       1.490559000     1.876863000    -0.000006000
C       1.210325000    -0.506663000     0.000012000
F       2.517151000    -0.735861000     0.000036000
C       0.306872000    -1.516732000    -0.000012000
N      -1.052414000    -1.324731000    -0.000042000
C      -1.473881000    -0.095659000    -0.000045000
C      -2.942234000     0.212889000     0.000046000
N      -0.614936000     0.967081000    -0.000031000
H       0.651798000    -2.546474000    -0.000013000
H      -3.499414000    -0.722845000    -0.000801000
H      -3.221593000     0.797408000    -0.883598000
H      -3.221753000     0.795823000     0.884694000
H      -0.974228000     1.913816000    -0.000046000
11
3H_4pyramidinone_3_0_3
C       0.758844000     0.881564000     0.000001000
O       1.471773000     1.858162000    -0.000005000
C       1.149947000    -0.521587000     0.000001000
F       2.452233000    -0.768941000     0.000004000
C       0.233160000    -1.518308000    -0.000002000
N      -1.126840000    -1.301901000    -0.000004000
C      -1.483993000    -0.075441000    -0.000004000
F      -2.761189000     0.248471000     0.000003000
N      -0.654069000     0.993621000     0.000002000
H       0.556616000    -2.553718000    -0.000002000
H      -1.031576000     1.933246000     0.000008000
13
3H_4pyramidinone_3_1_0
C       1.276810000    -0.323941000     0.000003000
O       2.283778000    -1.006205000     0.000037000
C      -0.092390000    -0.733373000    -0.000033000
F      -0.365152000    -2.049352000    -0.000003000
C      -1.137952000     0.161940000    -0.000070000
N      -2.430657000    -0.246025000    -0.000225000
N      -0.937277000     1.524017000     0.000001000
C       0.294542000     1.923428000     0.000015000
N       1.363759000     1.099827000    -0.000003000
H      -2.657201000    -1.223127000     0.000812000
H      -3.156986000     0.446525000     0.000933000
H       0.507974000     2.989049000     0.000060000
H       2.305518000     1.468303000     0.000024000
15
3H_4pyramidinone_3_1_1
C      -0.357468000     1.349522000     0.000009000
O      -0.735293000     2.507370000     0.000001000
C      -1.111137000     0.144737000    -0.000004000
F      -2.459028000     0.217289000    -0.000012000
C      -0.510640000    -1.096034000    -0.000008000
N      -1.252216000    -2.232430000    -0.000037000
N       0.845679000    -1.269376000     0.000002000
C       1.575308000    -0.183941000     0.000017000
N       2.929849000    -0.301274000     0.000049000
N       1.046148000     1.066681000     0.000007000
H      -2.253827000    -2.182716000     0.000124000
H      -0.783312000    -3.119210000     0.000147000
H       3.316715000    -1.227690000    -0.000160000
H       3.544001000     0.490757000    -0.000268000
H       1.627426000     1.893380000     0.000028000
16
3H_4pyramidinone_3_1_2
C       0.378399000    -1.349164000    -0.000003000
O       0.772692000    -2.500756000     0.000009000
C       1.131743000    -0.136817000    -0.000004000
F       2.474503000    -0.212759000     0.000012000
C       0.532786000     1.100968000    -0.000018000
N       1.258997000     2.246725000    -0.000050000
N      -0.833193000     1.259620000    -0.000012000
C      -1.558407000     0.180161000    -0.000010000
C      -3.056801000     0.280088000     0.000018000
N      -1.017274000    -1.063536000    -0.000013000
H       2.261437000     2.214970000     0.000179000
H       0.775505000     3.126007000     0.000195000
H      -3.345320000     1.330327000    -0.000162000
H      -3.480941000    -0.208244000     0.884168000
H      -3.481009000    -0.208579000    -0.883913000
H      -1.607766000    -1.884680000    -0.000013000
13
3H_4pyramidinone_3_1_3
C      -0.272392000     1.361797000     0.000000000
O      -0.609204000     2.527548000     0.000001000
C      -1.077931000     0.181983000    -0.000000000
F      -2.414814000     0.321602000     0.000000000
C      -0.542550000    -1.085305000    -0.000000000
N      -1.319605000    -2.193215000    -0.000002000
N       0.817526000    -1.308652000    -0.000001000
C       1.549894000    -0.259186000    -0.000004000
F       2.863164000    -0.384744000     0.000003000
N       1.119386000     1.013054000    -0.000001000
H      -2.319539000    -2.111002000     0.000008000
H      -0.882176000    -3.096582000     0.000010000
H       1.776925000     1.781433000    -0.000000000
14
3H_4pyramidinone_3_2_0
C       1.293471000    -0.330468000    -0.000000000
O       2.267794000    -1.053504000     0.000000000
C      -0.106156000    -0.719479000     0.000000000
F      -0.337574000    -2.030688000    -0.000001000
C      -1.126119000     0.182795000    -0.000001000
C      -2.566107000    -0.234573000    -0.000000000
N      -0.883439000     1.543126000    -0.000001000
C       0.350410000     1.924209000     0.000001000
N       1.409840000     1.074546000     0.000000000
H      -2.669923000    -1.319497000    -0.000093000
H      -3.071242000     0.177240000    -0.879714000
H      -3.071197000     0.177076000     0.879817000
H       0.591748000     2.983869000     0.000001000
H       2.358624000     1.426923000     0.000001000
16
3H_4pyramidinone_3_2_1
C       0.254174000    -1.380062000    -0.000026000
O       0.588246000    -2.548198000     0.000025000
C       1.091945000    -0.204165000    -0.000032000
F       2.412088000    -0.422238000    -0.000016000
C       0.574944000     1.057127000    -0.000025000
C       1.456620000     2.271381000     0.000027000
N      -0.776420000     1.297326000    -0.000060000
C      -1.571842000     0.263297000    -0.000040000
N      -2.918289000     0.452205000     0.000328000
N      -1.115153000    -1.023197000     0.000009000
H       2.512232000     2.000461000    -0.000680000
H       1.241120000     2.885767000     0.880327000
H       1.240065000     2.886587000    -0.879428000
H      -3.250629000     1.399765000    -0.000629000
H      -3.577520000    -0.302755000    -0.001225000
H      -1.746037000    -1.813894000     0.000209000
17
3H_4pyramidinone_3_2_2
C       0.284659000    -1.380354000    -0.000003000
O       0.644385000    -2.540008000     0.000001000
C       1.113018000    -0.189765000     0.000002000
F       2.429195000    -0.398791000     0.000005000
C       0.589111000     1.065781000    -0.000003000
C       1.451855000     2.292668000    -0.000001000
N      -0.773954000     1.281871000    -0.000010000
C      -1.558042000     0.248498000    -0.000008000
C      -3.049555000     0.418036000     0.000009000
N      -1.079422000    -1.029505000    -0.000005000
H       2.511817000     2.038720000    -0.000225000
H       1.226784000     2.904174000     0.879849000
H       1.226442000     2.904408000    -0.879597000
H      -3.284814000     1.481378000    -0.000078000
H      -3.498232000    -0.048560000     0.884061000
H      -3.498276000    -0.048723000    -0.883933000
H      -1.714201000    -1.817962000    -0.000001000
14
3H_4pyramidinone_3_2_3
C      -0.135228000     1.389985000    -0.000003000
O      -0.403046000     2.570259000     0.000002000
C      -1.050640000     0.261320000    -0.000001000
F      -2.345126000     0.573409000    -0.000000000
C      -0.629739000    -1.031852000    -0.000002000
C      -1.581071000    -2.188536000    -0.000001000
N       0.717193000    -1.352248000    -0.000002000
C       1.534915000    -0.373672000     0.000002000
F       2.835862000    -0.592235000     0.000001000
N       1.207589000     0.937620000    -0.000001000
H      -2.617845000    -1.852962000    -0.000153000
H      -1.402423000    -2.814931000     0.879961000
H      -1.402202000    -2.815108000    -0.879789000
H       1.927321000     1.649301000     0.000002000
11
3H_4pyramidinone_3_3_0
C       1.268263000    -0.260134000     0.000008000
O       2.294912000    -0.903347000    -0.000009000
C      -0.093167000    -0.756377000     0.000005000
F      -0.268708000    -2.068470000     0.000002000
C      -1.144466000     0.111089000    -0.000003000
F      -2.378524000    -0.356743000    -0.000002000
N      -1.035116000     1.458419000    -0.000002000
C       0.171665000     1.931854000     0.000001000
N       1.280663000     1.157862000     0.000004000
H       0.330347000     3.005826000    -0.000009000
H       2.202846000     1.575307000    -0.000003000
13
3H_4pyramidinone_3_3_1
C       0.447728000     1.303391000    -0.000014000
O       0.910728000     2.424608000     0.000011000
C       1.143096000     0.043255000    -0.000001000
F       2.474047000     0.058225000     0.000020000
C       0.432936000    -1.121896000    -0.000005000
F       1.083526000    -2.273351000     0.000007000
N      -0.905957000    -1.228334000    -0.000010000
C      -1.577422000    -0.103203000    -0.000038000
N      -2.932126000    -0.140364000    -0.000074000
N      -0.964283000     1.110767000    -0.000018000
H      -3.372401000    -1.043454000     0.000280000
H      -3.500583000     0.685583000     0.000493000
H      -1.492462000     1.973384000    -0.000048000
14
3H_4pyramidinone_3_3_2
C       0.453913000     1.306847000     0.000001000
O       0.923490000     2.424773000    -0.000000000
C       1.161488000     0.044867000     0.000000000
F       2.486260000     0.076348000    -0.000000000
C       0.465215000    -1.125324000    -0.000000000
F       1.118111000    -2.274103000     0.000000000
N      -0.880728000    -1.229197000    -0.000000000
C      -1.559602000    -0.117981000     0.000000000
C      -3.058833000    -0.140296000     0.000000000
N      -0.946707000     1.095324000    -0.000000000
H      -3.399371000    -1.174692000    -0.000020000
H      -3.457329000     0.369000000    -0.884204000
H      -3.457327000     0.368964000     0.884226000
H      -1.494279000     1.946772000    -0.000001000
11
3H_4pyramidinone_3_3_3
C      -0.377713000     1.316816000     0.000003000
O      -0.816053000     2.443120000    -0.000001000
C      -1.113505000     0.069023000     0.000000000
F      -2.436426000     0.136385000    -0.000001000
C      -0.452749000    -1.121102000    -0.000001000
F      -1.129156000    -2.251072000    -0.000000000
N       0.895018000    -1.259305000     0.000002000
C       1.558188000    -0.163397000     0.000003000
F       2.872154000    -0.190131000    -0.000003000
N       1.027462000     1.073660000     0.000001000
H       1.626588000     1.889880000    -0.000001000
