12 uracil_000_000 C 22.7955 O -84.8798 C 81.2473 C 44.3336 N 114.9734 C 34.6124 O 12.8901 N 81.1673 H 26.1639 H 24.7582 H 25.5734 H 24.8764 14 uracil_000_001 C 23.5470 O -55.1968 C 107.9977 C 34.3692 N 193.8737 N 123.0219 C 35.6246 O 22.6497 N 90.9838 H 27.2176 H 28.3277 H 28.9108 H 26.2248 H 25.3305 15 uracil_000_002 C 22.8859 O -76.6885 C 82.6135 C 32.8686 C 166.8354 N 108.7841 C 34.7919 O 18.0488 N 84.8208 H 26.3791 H 29.8510 H 29.8043 H 29.8044 H 25.6990 H 25.0010 12 uracil_000_003 C 23.2774 O -86.9857 C 101.1183 C 19.2688 F 276.4630 N 118.6341 C 37.5190 O 10.3376 N 85.7184 H 26.5609 H 25.5653 H 25.0123 14 uracil_001_000 C 23.2203 O -54.4607 C 59.0838 N 214.3489 C 69.3634 N 127.9279 C 36.6681 O 28.6920 N 85.6347 H 27.9874 H 29.6760 H 25.4271 H 26.0330 H 24.7671 16 uracil_001_001 C 22.6545 O -41.1261 C 85.8653 N 234.1738 C 33.9392 N 194.0402 N 122.9658 C 36.7145 O 22.1459 N 91.7210 H 29.4311 H 30.7412 H 26.6914 H 29.2672 H 25.9687 H 25.1772 17 uracil_001_002 C 22.9895 O -46.1783 C 63.6475 N 218.8556 C 52.7053 C 171.8726 N 116.1456 C 36.9319 O 28.2086 N 87.9594 H 28.0063 H 30.3193 H 29.2061 H 30.2124 H 29.8659 H 25.9624 H 24.8555 14 uracil_001_003 C 23.1561 O -58.8471 C 77.7969 N 223.2396 C 35.2926 F 303.9642 N 126.4624 C 40.3013 O 25.1039 N 88.9066 H 28.4565 H 29.8186 H 25.7816 H 24.9065 15 uracil_002_000 C 21.1956 O -75.4445 C 72.5330 C 177.8598 C 46.1061 N 116.3446 C 35.0896 O 19.3347 N 83.6007 H 29.0316 H 30.2327 H 30.2337 H 24.8200 H 25.6176 H 24.8063 17 uracil_002_001 C 22.7152 O -45.9539 C 101.1346 C 180.2115 C 37.4929 N 193.7769 N 124.0781 C 36.5153 O 26.5746 N 92.4956 H 28.7616 H 30.6179 H 30.6172 H 28.3373 H 28.7571 H 26.1589 H 25.2150 18 uracil_002_002 C 21.3310 O -69.7218 C 75.2903 C 177.4472 C 36.8172 C 169.9658 N 110.0400 C 35.8119 O 23.6299 N 86.6999 H 28.8213 H 30.3392 H 30.3392 H 29.4991 H 29.9794 H 29.9792 H 25.7476 H 24.9127 15 uracil_002_003 C 21.4657 O -76.2712 C 92.1349 C 181.2737 C 22.3162 F 278.2593 N 119.7977 C 38.3515 O 16.2230 N 87.3454 H 29.2101 H 30.2271 H 30.2272 H 25.5643 H 24.9340 12 uracil_003_000 C 27.9192 O -76.9376 C 39.7321 F 346.7851 C 59.7449 N 129.6312 C 36.2802 O 16.0171 N 82.2224 H 24.8346 H 26.0563 H 24.8362 14 uracil_003_001 C 30.3813 O -44.2274 C 58.4306 F 383.5086 C 44.5648 N 201.2439 N 131.5350 C 37.7586 O 23.4480 N 91.8227 H 27.9057 H 28.8366 H 26.4274 H 25.3769 15 uracil_003_002 C 28.3165 O -68.5349 C 43.2075 F 350.9249 C 48.3157 C 174.4820 N 120.5422 C 36.7587 O 20.1532 N 84.6373 H 29.0785 H 30.0782 H 30.0783 H 26.1300 H 24.9695 12 uracil_003_003 C 27.8601 O -79.2633 C 56.4210 F 370.3820 C 30.0128 F 298.8484 N 127.7437 C 40.1269 O 13.1004 N 85.9585 H 25.8693 H 24.9906 11 1H_2pyramidinone_0_0_0 C 15.1198 C 83.8667 C 39.2589 N 88.3460 C 30.7568 O -35.8901 N -70.4790 H 22.9162 H 25.7851 H 24.3046 H 24.6109 13 1H_2pyramidinone_0_0_1 C 16.8102 C 103.1617 C 29.9390 N 188.8236 N 103.0566 C 30.6924 O -23.1672 N -22.8062 H 23.3940 H 26.5976 H 28.1684 H 28.5470 H 25.3755 14 1H_2pyramidinone_0_0_2 C 15.6014 C 84.1726 C 27.3678 C 167.0196 N 83.1859 C 29.6364 O -30.8231 N -59.4380 H 23.0722 H 25.9419 H 29.8865 H 29.6731 H 29.6744 H 24.7202 11 1H_2pyramidinone_0_0_3 C 14.5255 C 100.3842 C 17.2327 F 263.9386 N 98.5028 C 30.9645 O -40.4645 N -53.1454 H 22.9914 H 26.0465 H 24.7518 13 1H_2pyramidinone_0_1_0 C 24.1817 C 61.1876 N 219.6435 C 65.5220 N 104.6073 C 32.2887 O -9.9817 N -77.4222 H 23.2471 H 29.1460 H 29.3948 H 25.2527 H 25.2141 15 1H_2pyramidinone_0_1_1 C 16.4635 C 82.9488 N 237.0011 C 28.1269 N 187.8655 N 103.1755 C 31.7307 O -21.5476 N -25.1835 H 23.4060 H 30.0471 H 30.3653 H 26.4272 H 28.7515 H 25.1984 16 1H_2pyramidinone_0_1_2 C 18.3386 C 64.8181 N 221.3771 C 36.6059 C 171.1016 N 88.0603 C 30.6692 O -18.9949 N -61.5743 H 23.2451 H 29.6342 H 30.2081 H 28.9093 H 30.1454 H 29.8381 H 24.8485 13 1H_2pyramidinone_0_1_3 C 18.5037 C 76.5849 N 225.6134 C 30.3954 F 289.0953 N 106.5898 C 32.9000 O -24.5319 N -58.8697 H 23.1019 H 29.8379 H 29.4292 H 24.9548 14 1H_2pyramidinone_0_2_0 C 12.7411 C 74.5783 C 172.4539 C 40.2636 N 90.2058 C 31.1590 O -25.0647 N -69.0216 H 23.0555 H 29.9254 H 29.7234 H 29.7228 H 24.4536 H 24.6768 16 1H_2pyramidinone_0_2_1 C 15.6226 C 95.5280 C 174.9393 C 32.3673 N 189.6992 N 105.2602 C 30.7854 O -16.9406 N -23.3796 H 23.5411 H 29.7321 H 30.0774 H 30.0776 H 28.1833 H 28.4718 H 25.3430 17 1H_2pyramidinone_0_2_2 C 13.0012 C 76.6152 C 172.1318 C 30.5635 C 170.3373 N 85.4494 C 29.8089 O -22.8777 N -60.9515 H 23.1685 H 29.8676 H 29.7713 H 29.7712 H 29.6429 H 29.8525 H 29.8531 H 24.7822 14 1H_2pyramidinone_0_2_3 C 12.0231 C 90.8143 C 175.9657 C 19.9949 F 266.4165 N 100.6464 C 31.1395 O -32.0947 N -53.3021 H 23.1390 H 29.9578 H 29.7247 H 29.7249 H 24.7680 11 1H_2pyramidinone_0_3_0 C 22.5377 C 38.1217 F 350.3260 C 54.1034 N 101.4199 C 32.2290 O -30.4332 N -73.7540 H 22.8730 H 24.5316 H 25.0208 13 1H_2pyramidinone_0_3_1 C 28.7043 C 50.8286 F 378.5690 C 40.3686 N 194.8896 N 108.4500 C 33.2834 O -18.4929 N -16.2869 H 23.3684 H 27.7073 H 28.4315 H 25.4857 14 1H_2pyramidinone_0_3_2 C 23.8933 C 39.7399 F 355.4922 C 42.0708 C 174.4286 N 93.4699 C 31.5716 O -26.8491 N -64.6340 H 23.0180 H 29.1819 H 29.9543 H 29.9556 H 25.0823 11 1H_2pyramidinone_0_3_3 C 22.1803 C 52.4192 F 370.9829 C 30.1042 F 282.7238 N 105.5876 C 33.7199 O -35.6104 N -55.3685 H 22.9303 H 24.9578 13 1H_2pyramidinone_1_0_0 C 19.8322 N 168.0337 C 95.9995 C 40.5672 N 98.5443 C 31.4634 O -16.6671 N 13.8726 H 27.9361 H 27.3741 H 26.5061 H 24.5619 H 25.1416 15 1H_2pyramidinone_1_0_1 C 18.9372 N 170.9282 C 118.8516 C 31.4501 N 192.6774 N 111.7839 C 31.5093 O -4.8461 N 37.2851 H 28.1707 H 27.5676 H 27.4126 H 28.4101 H 28.7383 H 25.8238 16 1H_2pyramidinone_1_0_2 C 19.4697 N 169.3276 C 96.7313 C 29.4708 C 166.9789 N 93.5263 C 30.4526 O -11.7313 N 20.3353 H 28.0103 H 27.4016 H 26.7051 H 30.0298 H 29.7811 H 29.7818 H 25.2354 13 1H_2pyramidinone_1_0_3 C 18.8606 N 165.3053 C 113.3283 C 17.8509 F 270.9018 N 107.7471 C 32.7951 O -20.2910 N 25.0901 H 27.8195 H 27.1891 H 26.8632 H 25.2503 15 1H_2pyramidinone_1_1_0 C 19.6639 N 170.0565 C 72.8246 N 220.5410 C 53.4586 N 106.8173 C 31.7371 O -9.5623 N 9.3577 H 27.0212 H 27.5745 H 30.3000 H 29.7157 H 25.0004 H 25.4482 17 1H_2pyramidinone_1_1_1 C 18.7519 N 173.3756 C 96.7245 N 240.5825 C 28.9862 N 191.6455 N 108.2672 C 33.3301 O -6.8611 N 32.1293 H 27.9278 H 27.6772 H 30.7471 H 30.5842 H 26.6185 H 28.9980 H 25.5594 18 1H_2pyramidinone_1_1_2 C 18.0084 N 168.7047 C 77.6642 N 230.4443 C 39.1552 C 171.9197 N 97.7368 C 32.0342 O -7.4095 N 15.8208 H 26.4061 H 27.5401 H 30.5031 H 29.8955 H 29.4998 H 29.8281 H 30.1191 H 25.4204 15 1H_2pyramidinone_1_1_3 C 17.2592 N 166.4187 C 92.7041 N 239.9426 C 24.8513 F 285.7032 N 111.6488 C 34.4895 O -15.7583 N 23.6127 H 26.2172 H 27.3024 H 30.6148 H 29.8469 H 25.3487 16 1H_2pyramidinone_1_2_0 C 18.6573 N 168.8080 C 86.2391 C 172.2952 C 42.8456 N 98.9838 C 31.0620 O -11.5400 N 12.6115 H 27.9680 H 27.4033 H 29.8970 H 30.0398 H 30.0326 H 24.7448 H 25.1607 18 1H_2pyramidinone_1_2_1 C 16.8367 N 169.5114 C 107.3365 C 177.9319 C 32.1865 N 193.7118 N 107.8348 C 32.4093 O -4.7592 N 25.6602 H 28.2924 H 27.6483 H 29.8712 H 30.2461 H 30.1354 H 28.3800 H 29.1047 H 25.5867 19 1H_2pyramidinone_1_2_2 C 17.5807 N 169.1225 C 88.7713 C 175.3947 C 34.2938 C 170.0787 N 91.9869 C 31.3597 O -6.6748 N 13.8354 H 28.0050 H 27.4806 H 30.0237 H 30.1737 H 29.6980 H 29.4994 H 30.1913 H 29.7452 H 25.2425 16 1H_2pyramidinone_1_2_3 C 17.4156 N 166.9968 C 103.7242 C 179.8189 C 22.0404 F 278.9282 N 108.6071 C 33.5124 O -15.0522 N 21.4590 H 27.7861 H 27.2460 H 30.2195 H 30.3358 H 29.4217 H 25.2223 13 1H_2pyramidinone_1_3_0 C 27.2804 N 173.8055 C 46.8792 F 361.7671 C 56.9574 N 111.7352 C 32.9939 O -13.0729 N 13.9871 H 27.3239 H 27.2376 H 24.7270 H 25.6041 15 1H_2pyramidinone_1_3_1 C 29.1808 N 177.4349 C 61.9460 F 393.0671 C 43.6754 N 200.1525 N 117.4570 C 34.6894 O -2.6408 N 40.0058 H 27.6119 H 27.5191 H 27.9826 H 28.6998 H 26.0360 16 1H_2pyramidinone_1_3_2 C 27.5502 N 175.0864 C 49.0840 F 366.9284 C 45.9316 C 174.8481 N 103.7218 C 32.8799 O -9.6133 N 17.1928 H 27.3801 H 27.3051 H 29.2213 H 30.0524 H 30.0527 H 25.6720 13 1H_2pyramidinone_1_3_3 C 26.4529 N 171.6522 C 61.8143 F 384.8001 C 31.8182 F 293.1207 N 115.0716 C 36.0028 O -17.4207 N 23.5590 H 27.1951 H 27.1218 H 25.5442 14 1H_2pyramidinone_2_0_0 C 4.0677 C 160.0658 C 82.9214 C 40.1424 N 91.5925 C 31.3269 O -26.9612 N -62.1414 H 29.8997 H 29.3441 H 29.3443 H 25.8313 H 24.3974 H 24.7758 16 1H_2pyramidinone_2_0_1 C 6.0042 C 159.7269 C 102.7905 C 30.6040 N 189.7842 N 105.9617 C 31.3792 O -14.4438 N -18.0914 H 30.1295 H 29.4870 H 29.4868 H 26.6382 H 28.2286 H 28.5740 H 25.5061 17 1H_2pyramidinone_2_0_2 C 4.6631 C 160.1520 C 83.2140 C 28.4414 C 166.9688 N 86.4940 C 30.1868 O -22.2429 N -51.9146 H 29.9551 H 29.3894 H 29.3894 H 26.0072 H 29.9312 H 29.7081 H 29.7082 H 24.8715 14 1H_2pyramidinone_2_0_3 C 2.5831 C 159.3565 C 99.4763 C 17.6543 F 266.9731 N 101.6190 C 31.8923 O -31.3171 N -45.1205 H 29.8864 H 29.3172 H 29.3172 H 26.1197 H 24.9020 16 1H_2pyramidinone_2_1_0 C 12.2144 C 162.2904 C 60.7919 N 209.9874 C 59.6147 N 102.8741 C 32.0002 O -13.9017 N -65.7625 H 29.3026 H 29.7742 H 29.3867 H 29.7955 H 29.6198 H 25.0732 H 25.1655 18 1H_2pyramidinone_2_1_1 C 8.6904 C 161.9420 C 83.2323 N 233.6291 C 29.0972 N 189.5488 N 103.7901 C 32.9694 O -18.1063 N -23.3700 H 29.6349 H 29.5564 H 29.5479 H 30.3487 H 30.4880 H 26.3404 H 28.8835 H 25.2451 19 1H_2pyramidinone_2_1_2 C 17.7977 C 166.9891 C 64.5664 N 219.5380 C 56.2588 C 173.1423 N 97.3753 C 33.1444 O 0.2511 N -62.4085 H 30.0046 H 29.5729 H 29.5729 H 28.9608 H 29.3321 H 30.0612 H 29.9253 H 29.9253 H 25.3383 16 1H_2pyramidinone_2_1_3 C 9.2197 C 162.6372 C 77.4582 N 223.5925 C 30.8719 F 294.0106 N 108.0329 C 34.2687 O -20.0404 N -49.8930 H 29.1624 H 29.7666 H 29.3720 H 30.1991 H 29.2822 H 25.0133 17 1H_2pyramidinone_2_2_0 C 5.1846 C 164.4150 C 75.8447 C 173.0055 C 39.5475 N 91.0678 C 32.2475 O -16.0081 N -61.1978 H 29.4189 H 29.5469 H 29.5474 H 29.6299 H 29.7959 H 29.7960 H 24.4975 H 24.7654 19 1H_2pyramidinone_2_2_1 C 8.4677 C 164.8618 C 96.3700 C 175.7242 C 32.2089 N 189.2770 N 106.1443 C 33.1884 O -6.7792 N -18.8193 H 29.5359 H 29.6969 H 29.6964 H 29.3651 H 30.1707 H 30.1712 H 28.1267 H 28.4931 H 25.4203 20 1H_2pyramidinone_2_2_2 C 5.4091 C 164.3804 C 77.1051 C 172.6997 C 30.4503 C 170.0727 N 86.3677 C 31.9543 O -12.7925 N -54.5038 H 29.3889 H 29.5713 H 29.5710 H 29.5031 H 29.8455 H 29.8456 H 29.5279 H 29.8849 H 29.8845 H 24.8856 17 1H_2pyramidinone_2_2_3 C 3.8443 C 164.7954 C 91.1586 C 176.9224 C 19.7064 F 266.9226 N 102.1441 C 33.6088 O -21.9676 N -45.7508 H 29.3483 H 29.5706 H 29.5699 H 29.6851 H 29.7993 H 29.7982 H 24.8626 14 1H_2pyramidinone_2_3_0 C 11.9240 C 167.8273 C 38.8925 F 346.3346 C 55.0398 N 102.5784 C 32.9520 O -22.0780 N -66.5180 H 29.1722 H 29.6326 H 29.6326 H 24.5876 H 25.1529 16 1H_2pyramidinone_2_3_1 C 18.5332 C 168.2626 C 52.0694 F 374.3441 C 41.0560 N 195.8950 N 109.3948 C 34.7566 O -10.1421 N -13.7409 H 29.3121 H 29.7940 H 29.7942 H 27.7085 H 28.4920 H 25.5987 17 1H_2pyramidinone_2_3_2 C 13.4174 C 167.9813 C 40.6697 F 351.0012 C 43.1896 C 174.4169 N 94.5864 C 32.7241 O -18.6599 N -58.6382 H 29.1850 H 29.6718 H 29.6719 H 29.1613 H 29.9794 H 29.9798 H 25.2132 14 1H_2pyramidinone_2_3_3 C 11.0023 C 167.7908 C 53.1835 F 367.4190 C 30.3479 F 286.8258 N 107.0468 C 35.3351 O -26.7403 N -48.8299 H 29.0925 H 29.6326 H 29.6326 H 25.0980 11 1H_2pyramidinone_3_0_0 C 10.4137 F 210.1061 C 93.3852 C 37.0810 N 88.9577 C 30.9307 O -41.1787 N -11.1171 H 25.9729 H 24.2873 H 24.5523 13 1H_2pyramidinone_3_0_1 C 8.3618 F 218.5443 C 115.2327 C 28.9732 N 187.5102 N 104.2321 C 31.4220 O -28.6983 N 19.3654 H 26.9286 H 28.0387 H 28.3516 H 25.3739 14 1H_2pyramidinone_3_0_2 C 9.6523 F 214.9222 C 94.1737 C 24.7826 C 167.0402 N 83.8576 C 30.1572 O -35.9539 N -3.3680 H 26.1822 H 29.8143 H 29.6603 H 29.6603 H 24.6860 11 1H_2pyramidinone_3_0_3 C 8.6016 F 208.7268 C 109.3753 C 16.0223 F 264.1815 N 98.6285 C 33.3474 O -45.1086 N 0.8978 H 26.3481 H 24.7209 13 1H_2pyramidinone_3_1_0 C 18.9733 F 227.9786 C 68.2331 N 216.7272 C 58.0871 N 100.8759 C 32.9260 O -21.6164 N -12.1755 H 28.9801 H 29.6149 H 24.9601 H 25.0047 15 1H_2pyramidinone_3_1_1 C 12.5464 F 230.3211 C 94.7788 N 240.7056 C 26.8139 N 187.2582 N 102.5812 C 33.4459 O -26.9523 N 20.4967 H 30.1362 H 30.5214 H 26.2845 H 28.6076 H 25.1824 16 1H_2pyramidinone_3_1_2 C 15.7523 F 232.4171 C 74.1462 N 226.8049 C 34.6120 C 171.6564 N 87.2626 C 32.5311 O -24.3728 N -3.3796 H 29.2360 H 30.3611 H 28.8329 H 30.0905 H 29.8575 H 24.8165 13 1H_2pyramidinone_3_1_3 C 19.0720 F 230.9488 C 84.7180 N 232.2081 C 34.6252 F 296.0930 N 107.0255 C 37.4943 O -18.9646 N -0.4121 H 29.0122 H 29.2990 H 24.9787 14 1H_2pyramidinone_3_2_0 C 11.8329 F 216.2326 C 83.6465 C 177.4483 C 37.6101 N 88.9023 C 31.2866 O -31.2783 N -8.3799 H 29.4547 H 29.9726 H 29.9732 H 24.4338 H 24.5734 16 1H_2pyramidinone_3_2_1 C 11.0659 F 226.5498 C 107.1869 C 180.3060 C 30.9756 N 188.3224 N 104.5311 C 32.5244 O -21.7222 N 21.1179 H 29.2217 H 30.3615 H 30.3613 H 28.0111 H 28.2916 H 25.3045 17 1H_2pyramidinone_3_2_2 C 11.2362 F 219.9365 C 85.7208 C 177.5086 C 27.6118 C 170.6738 N 84.2488 C 31.2020 O -27.6020 N -2.8128 H 29.3329 H 30.0610 H 30.0610 H 29.5043 H 29.8688 H 29.8687 H 24.7181 14 1H_2pyramidinone_3_2_3 C 10.0315 F 217.4868 C 99.4733 C 181.0279 C 18.7168 F 267.2579 N 99.2191 C 34.2762 O -36.2200 N 2.4658 H 29.5592 H 29.9927 H 29.9927 H 24.7157 11 1H_2pyramidinone_3_3_0 C 20.1492 F 223.5185 C 48.0000 F 355.0641 C 51.9420 N 100.2920 C 33.5700 O -36.5939 N -11.9002 H 24.4604 H 24.9625 13 1H_2pyramidinone_3_3_1 C 21.1590 F 234.9740 C 63.7126 F 387.2941 C 39.2937 N 193.7615 N 108.1986 C 35.6580 O -24.2879 N 23.8905 H 27.5697 H 28.2788 H 25.4969 14 1H_2pyramidinone_3_3_2 C 20.0429 F 228.7453 C 50.3860 F 361.1358 C 39.5994 C 174.4185 N 92.5532 C 33.6090 O -32.2265 N -6.5405 H 29.0596 H 29.9351 H 29.9353 H 25.0605 11 1H_2pyramidinone_3_3_3 C 18.6324 F 223.8585 C 62.2114 F 377.4189 C 28.5375 F 283.9669 N 104.1613 C 37.6349 O -40.2214 N 0.3402 H 24.9463 11 1H_4pyramidinone_0_0_0 C 18.6330 O -153.7554 C 67.4544 C 49.5475 N 112.2882 C 37.1215 N -54.9503 H 25.6183 H 24.7182 H 25.0494 H 23.7070 13 1H_4pyramidinone_0_0_1 C 18.3693 O -136.3574 C 72.1742 C 51.0356 N 139.1559 C 34.4000 N 185.9084 N 11.3078 H 25.9358 H 24.9525 H 26.0878 H 28.6429 H 27.8079 14 1H_4pyramidinone_0_0_2 C 18.2979 O -144.2005 C 69.9896 C 49.4146 N 109.8088 C 27.4043 C 163.2122 N -48.8609 H 25.7547 H 24.7679 H 25.0655 H 30.4762 H 29.2482 H 29.2479 11 1H_4pyramidinone_0_0_3 C 18.1187 O -162.2778 C 69.4270 C 49.7429 N 131.9095 C 30.0146 F 233.3610 N -0.4530 H 25.6390 H 24.7373 H 25.2485 13 1H_4pyramidinone_0_1_0 C 17.5008 O -126.2475 C 96.5296 C 38.4077 N 200.0577 N 122.8447 C 40.5782 N -46.9431 H 26.7119 H 28.5222 H 29.1670 H 25.7957 H 23.9979 15 1H_4pyramidinone_0_1_1 C 16.5268 O -126.7161 C 93.7726 C 35.9751 N 197.7394 N 135.9184 C 32.8394 N 184.3386 N 8.5303 H 26.6488 H 28.9516 H 29.5420 H 26.1079 H 29.0085 H 28.1910 16 1H_4pyramidinone_0_1_2 C 17.0187 O -118.7253 C 99.3151 C 38.1431 N 200.5790 N 119.4266 C 31.4215 C 163.4302 N -40.0729 H 26.8050 H 28.5579 H 29.2158 H 25.7531 H 30.5919 H 29.2834 H 29.2834 13 1H_4pyramidinone_0_1_3 C 17.4520 O -145.9297 C 92.6705 C 34.9466 N 196.4468 N 135.4183 C 30.5318 F 236.9529 N 7.1097 H 26.5277 H 28.6866 H 29.2918 H 25.6965 14 1H_4pyramidinone_0_2_0 C 17.1211 O -146.8147 C 69.7139 C 39.2658 C 167.4761 N 106.5312 C 37.1353 N -48.0780 H 25.8429 H 29.8010 H 29.8111 H 29.8107 H 25.1777 H 23.7604 16 1H_4pyramidinone_0_2_1 C 16.9861 O -129.6799 C 74.4902 C 41.3781 C 167.6342 N 132.7765 C 33.9801 N 186.6868 N 16.9466 H 26.1242 H 29.8040 H 29.9099 H 29.9102 H 26.1706 H 28.6429 H 27.8187 17 1H_4pyramidinone_0_2_2 C 16.8040 O -137.4589 C 72.1930 C 39.4339 C 167.5436 N 103.7132 C 27.5537 C 163.2056 N -42.0956 H 25.9535 H 29.8145 H 29.8364 H 29.8365 H 25.1615 H 30.4702 H 29.2560 H 29.2560 14 1H_4pyramidinone_0_2_3 C 17.1376 O -154.9385 C 71.7558 C 38.7820 C 168.0056 N 125.8972 C 29.2283 F 235.9461 N 5.0588 H 25.8802 H 29.6843 H 29.7921 H 29.7922 H 25.3711 11 1H_4pyramidinone_0_3_0 C 16.0751 O -161.4385 C 90.3006 C 23.2380 F 283.3442 N 117.0610 C 40.4652 N -51.0438 H 26.1002 H 24.9427 H 23.8469 13 1H_4pyramidinone_0_3_1 C 16.7369 O -144.6093 C 95.7244 C 23.3864 F 287.8955 N 140.7725 C 36.8918 N 185.2363 N 18.4063 H 26.3867 H 25.9476 H 28.5476 H 27.6578 14 1H_4pyramidinone_0_3_2 C 15.9113 O -152.4391 C 92.9596 C 22.7900 F 284.8689 N 113.7113 C 30.2819 C 163.6030 N -44.0048 H 26.2276 H 24.9660 H 30.4206 H 29.2124 H 29.2124 11 1H_4pyramidinone_0_3_3 C 17.9163 O -168.9075 C 91.9952 C 22.5573 F 285.6889 N 133.3313 C 31.8559 F 237.0960 N 4.0741 H 26.1156 H 25.1644 13 1H_4pyramidinone_1_0_0 C 20.4694 O -98.6400 C 49.5404 N 201.3530 C 81.9255 N 113.4644 C 42.0351 N -24.3504 H 26.7532 H 28.7953 H 25.4822 H 25.0129 H 24.0033 15 1H_4pyramidinone_1_0_1 C 20.2139 O -82.5519 C 54.3846 N 206.9789 C 84.9612 N 148.1250 C 36.5005 N 188.2339 N 26.1312 H 26.9962 H 29.0677 H 25.8550 H 26.4433 H 28.7361 H 27.9043 16 1H_4pyramidinone_1_0_2 C 20.5256 O -89.5685 C 51.9110 N 202.6188 C 81.9857 N 112.3150 C 32.6180 C 163.0684 N -20.5105 H 26.7874 H 28.8514 H 25.5655 H 25.1070 H 30.4859 H 29.2570 H 29.2572 13 1H_4pyramidinone_1_0_3 C 19.7485 O -110.3944 C 51.4083 N 203.6531 C 84.1477 N 138.4086 C 32.3564 F 241.8242 N 18.6093 H 26.9454 H 28.7439 H 25.6684 H 25.4554 15 1H_4pyramidinone_1_1_0 C 17.5294 O -94.0548 C 69.9976 N 223.5189 C 45.1012 N 202.6262 N 117.6305 C 42.7644 N -36.0043 H 27.8479 H 30.6224 H 27.7501 H 29.6512 H 25.2301 H 24.0295 17 1H_4pyramidinone_1_1_1 C 17.0396 O -86.6504 C 75.1982 N 227.1807 C 44.1622 N 202.8239 N 137.4371 C 35.2244 N 185.1884 N 13.4694 H 28.1546 H 30.8373 H 27.5368 H 29.7884 H 25.9325 H 28.9774 H 28.2570 18 1H_4pyramidinone_1_1_2 C 17.1566 O -91.4112 C 72.8313 N 225.6256 C 44.1651 N 202.6970 N 118.3062 C 33.2142 C 163.7709 N -34.7728 H 27.9647 H 30.7403 H 27.7130 H 29.6949 H 25.3033 H 29.6544 H 29.5169 H 29.6325 15 1H_4pyramidinone_1_1_3 C 17.7172 O -106.1037 C 73.2861 N 225.8871 C 43.8746 N 201.0219 N 136.9962 C 33.3005 F 239.8622 N 14.0024 H 28.1949 H 30.7106 H 27.4844 H 29.5184 H 25.4949 16 1H_4pyramidinone_1_2_0 C 18.9394 O -95.5425 C 50.5904 N 206.1548 C 65.6117 C 172.2862 N 104.8397 C 41.4013 N -27.0359 H 26.9158 H 29.6616 H 29.3925 H 30.2021 H 29.6662 H 25.1157 H 23.9509 18 1H_4pyramidinone_1_2_1 C 18.0995 O -88.0481 C 55.3347 N 210.7981 C 65.5266 C 172.2161 N 130.4838 C 33.2026 N 185.0871 N 15.9899 H 27.1330 H 29.9853 H 29.3280 H 30.2735 H 29.7783 H 26.0361 H 28.9163 H 28.2443 19 1H_4pyramidinone_1_2_2 C 20.2880 O -85.5842 C 55.3711 N 204.9700 C 75.0052 C 173.4065 N 104.7819 C 33.0355 C 162.9205 N -16.8199 H 26.6102 H 28.9821 H 29.8550 H 29.8835 H 29.8829 H 25.2247 H 30.4730 H 29.2623 H 29.2625 16 1H_4pyramidinone_1_2_3 C 19.5062 O -106.4031 C 55.1858 N 205.6412 C 76.2576 C 173.5037 N 130.9512 C 32.3920 F 242.4858 N 21.6760 H 26.7911 H 28.9795 H 29.8023 H 29.8623 H 29.8616 H 25.5661 13 1H_4pyramidinone_1_3_0 C 17.6745 O -111.2450 C 68.0167 N 212.7582 C 42.9130 F 322.6035 N 115.5511 C 47.6634 N -25.2306 H 27.3535 H 28.7705 H 24.7047 H 24.1732 15 1H_4pyramidinone_1_3_1 C 16.7663 O -108.1937 C 71.8301 N 216.7885 C 39.7946 F 316.5650 N 139.6374 C 36.4833 N 184.7053 N 17.6567 H 27.8336 H 29.5467 H 25.7410 H 28.8213 H 28.0976 16 1H_4pyramidinone_1_3_2 C 17.8508 O -102.2971 C 70.7587 N 214.0609 C 42.6791 F 323.7699 N 113.5834 C 37.6811 C 163.6079 N -20.8422 H 27.4108 H 28.8404 H 24.7913 H 30.4319 H 29.2234 H 29.2234 13 1H_4pyramidinone_1_3_3 C 18.8665 O -121.7321 C 70.4204 N 214.6228 C 43.6986 F 326.2975 N 136.5388 C 36.3448 F 245.7848 N 18.9185 H 27.5263 H 28.8488 H 25.1028 14 1H_4pyramidinone_2_0_0 C 16.7399 O -139.4751 C 57.5030 C 176.0733 C 51.7582 N 111.6506 C 38.0783 N -45.7048 H 28.7244 H 30.2032 H 30.2035 H 24.7105 H 24.9749 H 23.7965 16 1H_4pyramidinone_2_0_1 C 16.9457 O -121.8903 C 63.5770 C 176.6372 C 53.3074 N 139.5576 C 34.7853 N 186.8236 N 17.0888 H 28.7384 H 30.3150 H 30.3150 H 24.9637 H 26.0623 H 28.6971 H 27.8400 17 1H_4pyramidinone_2_0_2 C 16.6713 O -129.8132 C 60.3519 C 176.3278 C 51.5785 N 109.3700 C 28.4921 C 163.3322 N -40.2024 H 28.7317 H 30.2468 H 30.2474 H 24.7619 H 25.0092 H 30.4978 H 29.2622 H 29.2624 14 1H_4pyramidinone_2_0_3 C 16.3426 O -148.5816 C 59.4530 C 176.4892 C 52.2328 N 132.3245 C 30.4095 F 236.3216 N 6.8309 H 28.7649 H 30.1838 H 30.1844 H 24.7701 H 25.2383 16 1H_4pyramidinone_2_1_0 C 16.9492 O -112.7298 C 88.2067 C 179.5609 C 41.7190 N 199.9988 N 122.4018 C 41.7447 N -39.8834 H 28.4947 H 30.5904 H 30.5907 H 28.5443 H 29.0207 H 25.6604 H 24.0459 18 1H_4pyramidinone_2_1_1 C 16.6977 O -99.9112 C 94.2419 C 179.6826 C 43.1282 N 201.6112 N 146.3615 C 37.8413 N 188.5890 N 25.9415 H 28.4894 H 30.6643 H 30.6639 H 28.6407 H 29.1924 H 26.5252 H 28.8393 H 27.9374 19 1H_4pyramidinone_2_1_2 C 16.7107 O -104.7058 C 90.7714 C 179.6166 C 41.5540 N 200.8112 N 119.4498 C 32.7481 C 163.3398 N -33.6303 H 28.4997 H 30.6140 H 30.6139 H 28.5848 H 29.0650 H 25.5993 H 30.6046 H 29.2937 H 29.2936 16 1H_4pyramidinone_2_1_3 C 17.2389 O -121.3442 C 90.9594 C 179.3427 C 41.5841 N 198.5542 N 140.3663 C 32.7719 F 239.8614 N 13.9468 H 28.5487 H 30.5865 H 30.5862 H 28.3958 H 28.8709 H 25.7870 17 1H_4pyramidinone_2_2_0 C 16.0534 O -135.2396 C 60.7056 C 176.5838 C 43.4705 C 170.4262 N 105.8304 C 38.1325 N -38.7788 H 28.5074 H 30.2939 H 30.2940 H 29.4287 H 29.9614 H 29.9617 H 25.1590 H 23.8418 19 1H_4pyramidinone_2_2_1 C 16.3262 O -117.1699 C 66.8669 C 176.8973 C 45.7082 C 170.3353 N 133.5115 C 34.8346 N 187.3679 N 22.6846 H 28.4942 H 30.4061 H 30.4063 H 29.4518 H 30.0564 H 30.0567 H 26.1707 H 28.7108 H 27.8948 20 1H_4pyramidinone_2_2_2 C 16.0628 O -125.4024 C 63.6235 C 176.7505 C 43.5451 C 170.4546 N 103.2904 C 28.7836 C 163.1592 N -33.5585 H 28.5037 H 30.3394 H 30.3396 H 29.4456 H 29.9771 H 29.9772 H 25.1353 H 30.5015 H 29.2809 H 29.2810 17 1H_4pyramidinone_2_2_3 C 15.7824 O -143.7885 C 63.1098 C 176.5133 C 43.3436 C 170.5565 N 126.5233 C 29.9951 F 237.6268 N 11.9777 H 28.5486 H 30.3039 H 30.3040 H 29.3690 H 29.9334 H 29.9333 H 25.3797 14 1H_4pyramidinone_2_3_0 C 14.5241 O -145.9058 C 79.4387 C 180.2949 C 26.2852 F 285.4765 N 116.4899 C 41.7779 N -42.2766 H 28.9418 H 30.1647 H 30.1649 H 24.8547 H 23.9303 16 1H_4pyramidinone_2_3_1 C 15.3835 O -128.0371 C 86.4161 C 180.5720 C 26.6604 F 289.4952 N 141.3256 C 37.7399 N 186.0751 N 23.3564 H 28.9660 H 30.2711 H 30.2712 H 25.8761 H 28.6083 H 27.7132 17 1H_4pyramidinone_2_3_2 C 14.5084 O -136.4060 C 82.5184 C 180.4285 C 25.7999 F 286.9585 N 113.5153 C 31.7422 C 163.6314 N -36.2973 H 28.9570 H 30.1988 H 30.1990 H 24.8791 H 30.4402 H 29.2333 H 29.2333 14 1H_4pyramidinone_2_3_3 C 16.0149 O -153.6683 C 81.8172 C 180.1797 C 25.8678 F 287.8143 N 133.8168 C 32.6782 F 239.4519 N 10.3322 H 28.9776 H 30.1648 H 30.1649 H 25.1137 11 1H_4pyramidinone_3_0_0 C 23.2145 O -140.4496 C 30.9863 F 320.7151 C 64.7805 N 119.2592 C 39.7809 N -53.2932 H 24.7871 H 25.0774 H 23.8150 13 1H_4pyramidinone_3_0_1 C 23.7298 O -122.0854 C 34.2790 F 332.3494 C 66.7576 N 148.5309 C 36.0999 N 185.9422 N 10.5839 H 25.0868 H 26.3680 H 28.5613 H 27.7575 14 1H_4pyramidinone_3_0_2 C 23.5250 O -130.6087 C 32.3898 F 326.3581 C 64.8505 N 116.4507 C 29.5841 C 163.6764 N -47.3966 H 24.8805 H 25.1796 H 30.4001 H 29.2371 H 29.2373 11 1H_4pyramidinone_3_0_3 C 23.9566 O -150.0695 C 31.6697 F 327.0144 C 65.3934 N 139.7911 C 32.5481 F 236.9018 N 0.3117 H 24.8428 H 25.4450 13 1H_4pyramidinone_3_1_0 C 23.7810 O -123.4494 C 45.5489 F 354.8769 C 46.4311 N 209.0776 N 119.0797 C 42.5222 N -50.7217 H 28.1920 H 29.5718 H 25.4042 H 24.0282 15 1H_4pyramidinone_3_1_1 C 24.7274 O -99.0490 C 53.6318 F 372.2936 C 50.2987 N 209.8759 N 150.0248 C 40.2347 N 188.2231 N 18.7796 H 28.1958 H 29.3082 H 26.7398 H 28.7476 H 27.9281 16 1H_4pyramidinone_3_1_2 C 25.0164 O -102.6846 C 51.2714 F 367.3224 C 48.6327 N 209.0505 N 121.7445 C 34.9359 C 163.8255 N -43.4655 H 28.0926 H 29.1581 H 25.7036 H 30.5408 H 29.3025 H 29.3025 13 1H_4pyramidinone_3_1_3 C 26.1074 O -119.8693 C 51.5191 F 367.6944 C 48.7165 N 206.3192 N 143.4350 C 36.5337 F 239.7974 N 6.1691 H 27.9582 H 28.9496 H 25.8950 14 1H_4pyramidinone_3_2_0 C 23.1461 O -133.2271 C 33.9822 F 328.9298 C 54.0748 C 175.3296 N 110.8152 C 39.9987 N -49.1979 H 28.9400 H 30.0498 H 30.0503 H 25.2455 H 23.8886 16 1H_4pyramidinone_3_2_1 C 23.5315 O -115.5064 C 37.6585 F 339.6289 C 57.0073 C 175.1405 N 139.6571 C 36.3192 N 186.6050 N 14.0420 H 28.9918 H 30.1624 H 30.1631 H 26.4740 H 28.5997 H 27.8249 17 1H_4pyramidinone_3_2_2 C 23.4141 O -123.6200 C 35.5124 F 334.3004 C 54.7259 C 175.3145 N 107.9128 C 29.9549 C 163.5087 N -43.3902 H 28.9678 H 30.0840 H 30.0843 H 25.3190 H 30.4256 H 29.2671 H 29.2671 14 1H_4pyramidinone_3_2_3 C 23.8631 O -142.6331 C 35.2284 F 334.3727 C 54.4864 C 175.1096 N 131.7356 C 32.7013 F 237.6610 N 3.5450 H 28.9361 H 30.0220 H 30.0221 H 25.5705 11 1H_4pyramidinone_3_3_0 C 21.3061 O -149.5517 C 48.4105 F 349.5453 C 33.3832 F 309.2847 N 119.4558 C 44.0772 N -50.4962 H 24.9320 H 23.9914 13 1H_4pyramidinone_3_3_1 C 22.2263 O -131.2388 C 52.9235 F 359.6109 C 34.4239 F 312.7896 N 145.8048 C 39.8877 N 185.2661 N 17.0260 H 26.1309 H 28.5144 H 27.7016 14 1H_4pyramidinone_3_3_2 C 21.6118 O -139.8975 C 50.2932 F 354.6370 C 33.5714 F 310.4848 N 116.2388 C 33.5324 C 163.8795 N -43.9402 H 25.0224 H 30.3848 H 29.2310 H 29.2310 11 1H_4pyramidinone_3_3_3 C 23.4515 O -157.5484 C 49.7762 F 352.7408 C 33.5929 F 309.2003 N 137.3861 C 35.9249 F 238.2259 N 3.3980 H 25.2520 11 3H_4pyramidinone_0_0_0 C 26.0629 O -44.9432 C 65.1930 C 26.3092 N -7.0311 C 33.7767 N 63.9440 H 25.3114 H 23.6792 H 23.7685 H 23.7886 13 3H_4pyramidinone_0_0_1 C 24.8345 O -36.3730 C 78.8813 C 25.1430 N 43.3791 C 30.1797 N 182.4453 N 93.0546 H 25.9747 H 24.0084 H 27.5996 H 28.3327 H 24.9208 14 3H_4pyramidinone_0_0_2 C 24.9585 O -40.8669 C 69.1091 C 26.6462 N -5.9976 C 23.4017 C 163.9533 N 64.5562 H 25.5113 H 23.7682 H 29.4867 H 29.5520 H 29.5524 H 23.8894 11 3H_4pyramidinone_0_0_3 C 24.6280 O -56.2097 C 69.7563 C 26.8819 N 35.6082 C 26.8601 F 234.6608 N 86.8986 H 25.4834 H 23.8510 H 24.2443 13 3H_4pyramidinone_0_1_0 C 25.8645 O -17.3587 C 97.5679 C 21.4512 N 176.2437 N 15.3794 C 34.6329 N 72.7276 H 26.6359 H 28.0247 H 27.7577 H 24.0866 H 24.4262 15 3H_4pyramidinone_0_1_1 C 24.6840 O -9.4804 C 107.4791 C 21.0632 N 177.1407 N 65.0944 C 31.6445 N 184.4926 N 101.7225 H 27.0759 H 28.1687 H 28.0554 H 27.8823 H 28.4872 H 25.5119 16 3H_4pyramidinone_0_1_2 C 24.6254 O -14.1641 C 100.9599 C 21.8733 N 176.7233 N 15.4517 C 24.8874 C 164.0550 N 73.6455 H 26.7631 H 28.0732 H 27.8292 H 29.7304 H 29.6509 H 29.6517 H 24.5371 13 3H_4pyramidinone_0_1_3 C 24.9602 O -26.8636 C 102.0481 C 21.7346 N 174.3765 N 53.8569 C 27.4022 F 237.4081 N 96.9570 H 26.8044 H 27.9108 H 27.7743 H 24.8771 14 3H_4pyramidinone_0_2_0 C 25.7214 O -38.2431 C 68.6033 C 14.6066 C 160.9266 N -10.3922 C 35.7201 N 67.9780 H 25.4680 H 29.8620 H 29.4130 H 29.4128 H 23.8487 H 23.9961 16 3H_4pyramidinone_0_2_1 C 24.4042 O -30.7179 C 81.0574 C 14.4227 C 160.8191 N 40.7730 C 31.9901 N 183.6053 N 96.4665 H 26.0653 H 29.9737 H 29.6248 H 29.6249 H 27.6867 H 28.3963 H 25.0866 17 3H_4pyramidinone_0_2_2 C 24.5349 O -34.6317 C 72.2055 C 15.4110 C 160.8903 N -9.4827 C 25.6791 C 163.8831 N 68.6220 H 25.6474 H 29.8971 H 29.4725 H 29.4726 H 29.5452 H 29.5772 H 29.5773 H 24.0845 14 3H_4pyramidinone_0_2_3 C 24.4083 O -49.4270 C 73.1227 C 14.5188 C 161.0211 N 32.3740 C 28.4552 F 236.5300 N 90.8778 H 25.6498 H 29.8184 H 29.4778 H 29.4778 H 24.4328 11 3H_4pyramidinone_0_3_0 C 23.7501 O -46.8668 C 86.6670 C 8.9506 F 239.1214 N 8.8070 C 34.3408 N 64.2145 H 25.9074 H 23.9084 H 23.8665 13 3H_4pyramidinone_0_3_1 C 22.7285 O -37.9232 C 99.5491 C 8.2214 F 239.8238 N 57.2192 C 31.2798 N 180.5840 N 94.8666 H 26.5129 H 27.5675 H 28.1906 H 25.0727 14 3H_4pyramidinone_0_3_2 C 22.6893 O -42.6797 C 90.5639 C 9.2534 F 240.4930 N 9.2917 C 23.3503 C 164.2201 N 64.7506 H 26.0956 H 29.5281 H 29.5408 H 29.5407 H 24.0093 11 3H_4pyramidinone_0_3_3 C 23.7769 O -56.8767 C 91.3495 C 8.9315 F 237.6317 N 44.9721 C 27.3071 F 233.9787 N 88.0194 H 26.0667 H 24.3465 13 3H_4pyramidinone_1_0_0 C 28.3488 O -9.8195 C 47.2111 N 204.5559 C 59.0425 N -16.0484 C 50.1663 N 76.7411 H 27.3159 H 28.5955 H 24.4715 H 24.3655 H 23.8533 15 3H_4pyramidinone_1_0_1 C 27.5998 O -10.8452 C 57.2560 N 215.8082 C 57.2209 N 46.1739 C 42.1260 N 191.6690 N 99.4228 H 28.0116 H 29.0872 H 24.8150 H 28.0571 H 28.6951 H 24.8201 16 3H_4pyramidinone_1_0_2 C 27.4319 O -8.6756 C 50.4053 N 207.1810 C 59.3247 N -12.6873 C 40.9641 C 164.8846 N 76.2961 H 27.4558 H 28.7126 H 24.5736 H 29.5772 H 29.6117 H 29.6117 H 23.9311 13 3H_4pyramidinone_1_0_3 C 27.3234 O -25.2173 C 51.0195 N 207.6408 C 62.4479 N 34.1898 C 39.3753 F 252.2222 N 95.9659 H 27.5617 H 28.6323 H 24.8259 H 24.2047 15 3H_4pyramidinone_1_1_0 C 28.1606 O 7.7510 C 69.3348 N 218.6931 C 32.1215 N 182.4567 N 6.9563 C 44.3354 N 76.4660 H 27.9625 H 30.4192 H 28.1901 H 28.2453 H 24.3038 H 24.1089 17 3H_4pyramidinone_1_1_1 C 26.7043 O 8.1334 C 80.6608 N 228.2741 C 26.7916 N 179.7015 N 53.6873 C 34.1725 N 184.3404 N 99.1998 H 28.6702 H 30.8408 H 27.4209 H 28.4302 H 28.2803 H 28.8562 H 25.0190 18 3H_4pyramidinone_1_1_2 C 27.1854 O 9.7261 C 72.7205 N 221.0677 C 32.0043 N 182.4567 N 7.9773 C 34.3154 C 164.4650 N 76.7146 H 28.0951 H 30.5503 H 28.1613 H 28.3238 H 29.6838 H 29.6108 H 29.6193 H 24.2401 15 3H_4pyramidinone_1_1_3 C 27.2766 O -3.9367 C 75.9166 N 223.8471 C 30.1523 N 178.9169 N 49.6966 C 33.9236 F 243.6590 N 98.8644 H 28.3849 H 30.6466 H 27.6114 H 28.2167 H 24.5866 16 3H_4pyramidinone_1_2_0 C 28.5165 O -3.1229 C 48.8566 N 203.4665 C 44.7892 C 166.7944 N -20.0610 C 49.1543 N 76.2297 H 27.3882 H 29.3939 H 29.5975 H 29.7325 H 29.4074 H 24.2723 H 23.8788 18 3H_4pyramidinone_1_2_1 C 27.1038 O -5.7552 C 57.4250 N 211.6071 C 40.8242 C 166.5777 N 28.8221 C 38.6966 N 186.3341 N 95.4761 H 27.8655 H 30.0020 H 29.5552 H 29.7251 H 29.7850 H 28.3302 H 28.9495 H 24.5862 19 3H_4pyramidinone_1_2_2 C 27.4386 O -1.9851 C 52.1565 N 205.8429 C 44.8410 C 166.6697 N -17.4539 C 39.5329 C 164.5262 N 76.0099 H 27.5467 H 29.5480 H 29.6134 H 29.4874 H 29.7561 H 29.5727 H 29.5756 H 29.6105 H 23.9560 16 3H_4pyramidinone_1_2_3 C 27.2919 O -18.1197 C 52.9979 N 206.3535 C 45.2279 C 166.9542 N 28.4293 C 38.7090 F 248.7174 N 96.4880 H 27.6754 H 29.5640 H 29.5754 H 29.5675 H 29.7196 H 24.2512 13 3H_4pyramidinone_1_3_0 C 26.6254 O -14.4326 C 63.6451 N 211.5576 C 31.5672 F 279.1736 N 2.1407 C 54.0394 N 74.8608 H 27.6650 H 28.5832 H 24.5742 H 23.8527 15 3H_4pyramidinone_1_3_1 C 25.1119 O -19.7434 C 71.9486 N 218.5270 C 26.7249 F 269.5216 N 48.6173 C 40.2093 N 185.4932 N 94.7372 H 28.5082 H 29.5221 H 28.2495 H 28.7883 H 24.6758 16 3H_4pyramidinone_1_3_2 C 25.7463 O -13.1227 C 67.2986 N 214.3693 C 31.7784 F 279.6845 N 3.9825 C 43.8652 C 165.3436 N 74.0809 H 27.8457 H 28.7208 H 29.6138 H 29.5849 H 29.5848 H 23.9883 13 3H_4pyramidinone_1_3_3 C 26.7189 O -28.2758 C 68.3296 N 215.0518 C 33.5331 F 279.2915 N 42.9485 C 42.0252 F 253.0876 N 94.8215 H 27.9372 H 28.7247 H 24.2477 14 3H_4pyramidinone_2_0_0 C 24.2240 O -35.3872 C 54.8019 C 176.9447 C 27.8187 N -9.1100 C 37.1365 N 68.2056 H 28.9348 H 30.0473 H 30.0465 H 23.6907 H 23.9228 H 23.7988 16 3H_4pyramidinone_2_0_1 C 23.4615 O -28.7776 C 69.9764 C 177.6405 C 26.2653 N 42.4763 C 32.6550 N 184.5629 N 95.8818 H 29.1093 H 30.1762 H 30.1761 H 24.0238 H 27.7250 H 28.4263 H 24.8652 17 3H_4pyramidinone_2_0_2 C 23.2896 O -32.0356 C 59.1896 C 177.2775 C 28.0110 N -7.9443 C 27.0576 C 164.2383 N 68.6189 H 28.9777 H 30.0980 H 30.0980 H 23.7885 H 29.5387 H 29.5824 H 29.5825 H 23.8774 14 3H_4pyramidinone_2_0_3 C 23.1277 O -47.7803 C 59.7855 C 177.2483 C 28.8036 N 34.5387 C 29.5205 F 238.9199 N 90.6099 H 29.0229 H 30.0563 H 30.0562 H 23.9026 H 24.2160 16 3H_4pyramidinone_2_1_0 C 25.3148 O -8.5619 C 88.8664 C 179.2273 C 24.5620 N 176.7415 N 14.4097 C 37.5632 N 75.5635 H 28.7046 H 30.5454 H 30.5457 H 28.0881 H 27.6392 H 24.1561 H 24.3227 18 3H_4pyramidinone_2_1_1 C 24.6542 O -1.9384 C 99.1210 C 179.4833 C 24.2319 N 177.4743 N 65.1983 C 33.8941 N 186.0545 N 103.6355 H 28.8386 H 30.5911 H 30.5910 H 28.1743 H 27.8898 H 27.9701 H 28.5709 H 25.3765 19 3H_4pyramidinone_2_1_2 C 24.3645 O -5.3407 C 91.8133 C 179.3695 C 25.0251 N 177.3793 N 14.6845 C 27.9662 C 164.1925 N 76.2223 H 28.7492 H 30.5699 H 30.5696 H 28.1459 H 27.6842 H 29.7533 H 29.6583 H 29.6585 H 24.4257 16 3H_4pyramidinone_2_1_3 C 24.6519 O -18.7361 C 93.3753 C 179.1606 C 25.0638 N 174.7701 N 53.6597 C 29.6659 F 240.4106 N 99.2014 H 28.7961 H 30.5442 H 30.5438 H 27.9783 H 27.6368 H 24.7547 17 3H_4pyramidinone_2_2_0 C 24.1351 O -32.0336 C 59.3764 C 176.2630 C 18.9144 C 164.5220 N -12.6056 C 39.2643 N 72.1983 H 28.7152 H 30.1627 H 30.1625 H 29.5549 H 29.5811 H 29.5813 H 23.9656 H 23.9579 19 3H_4pyramidinone_2_2_1 C 23.2344 O -26.1854 C 72.7321 C 176.6959 C 18.2018 C 164.4972 N 40.3276 C 34.8343 N 185.8374 N 99.0908 H 28.8783 H 30.2687 H 30.2687 H 29.6211 H 29.8015 H 29.8015 H 27.8287 H 28.5210 H 24.9810 20 3H_4pyramidinone_2_2_2 C 23.1447 O -28.6728 C 63.1333 C 176.5260 C 19.6238 C 164.5287 N -11.3953 C 29.5505 C 164.1129 N 72.5866 H 28.7713 H 30.2094 H 30.2094 H 29.5786 H 29.6262 H 29.6262 H 29.6036 H 29.6073 H 29.6074 H 24.0411 17 3H_4pyramidinone_2_2_3 C 22.8747 O -44.2879 C 64.1476 C 176.1865 C 19.1762 C 164.4109 N 31.6681 C 31.3519 F 240.3085 N 94.3417 H 28.8158 H 30.1744 H 30.1744 H 29.5295 H 29.6408 H 29.6407 H 24.3670 14 3H_4pyramidinone_2_3_0 C 22.2264 O -37.8034 C 75.0265 C 179.8244 C 12.2405 F 241.3644 N 8.0968 C 38.2855 N 68.2542 H 29.1367 H 30.0806 H 30.0814 H 24.0488 H 23.8521 16 3H_4pyramidinone_2_3_1 C 21.7385 O -30.4742 C 89.2968 C 180.3708 C 11.3923 F 241.4076 N 57.6361 C 34.0534 N 182.8317 N 97.1467 H 29.3126 H 30.2083 H 30.2083 H 27.6952 H 28.3098 H 24.9991 17 3H_4pyramidinone_2_3_2 C 21.3530 O -34.1100 C 79.0644 C 180.0838 C 12.5170 F 242.7941 N 8.6749 C 27.5253 C 164.5229 N 68.4733 H 29.1896 H 30.1299 H 30.1298 H 29.5767 H 29.5715 H 29.5714 H 23.9806 14 3H_4pyramidinone_2_3_3 C 22.3565 O -48.5855 C 80.1814 C 179.8753 C 12.6490 F 240.1797 N 45.1066 C 30.1989 F 238.7301 N 91.1632 H 29.2189 H 30.1012 H 30.1012 H 24.2985 11 3H_4pyramidinone_3_0_0 C 30.6735 O -36.0099 C 28.2543 F 322.5438 C 44.2225 N -5.9350 C 39.5444 N 62.9863 H 23.8115 H 23.9852 H 23.5934 13 3H_4pyramidinone_3_0_1 C 30.4652 O -29.8061 C 36.5112 F 346.6095 C 42.3969 N 51.1051 C 34.9526 N 184.5388 N 91.5431 H 24.1280 H 27.6904 H 28.3491 H 24.7902 14 3H_4pyramidinone_3_0_2 C 30.1092 O -32.6980 C 30.4431 F 330.4782 C 44.6223 N -4.0280 C 29.0728 C 164.5225 N 63.2023 H 23.9288 H 29.4771 H 29.5609 H 29.5596 H 23.7348 11 3H_4pyramidinone_3_0_3 C 30.5520 O -49.6457 C 31.1095 F 331.1468 C 45.4218 N 40.1884 C 32.9252 F 239.2259 N 85.5494 H 24.0239 H 24.0726 13 3H_4pyramidinone_3_1_0 C 32.8864 O -4.3848 C 49.7458 F 360.8822 C 33.5647 N 184.6575 N 14.8905 C 39.7277 N 69.5080 H 27.6422 H 27.7834 H 24.2779 H 24.2221 15 3H_4pyramidinone_3_1_1 C 32.9451 O 2.2594 C 55.9909 F 378.8485 C 33.1099 N 184.8553 N 68.4537 C 35.8241 N 185.6269 N 99.5348 H 27.7342 H 28.0559 H 27.9293 H 28.4988 H 25.4531 16 3H_4pyramidinone_3_1_2 C 32.2613 O -1.5922 C 51.7194 F 367.4771 C 34.3336 N 185.2196 N 15.4374 C 29.6754 C 164.5074 N 70.2108 H 27.7090 H 27.8704 H 29.7070 H 29.6480 H 29.6483 H 24.3888 13 3H_4pyramidinone_3_1_3 C 33.1196 O -15.8393 C 52.8875 F 369.2671 C 34.3950 N 182.3059 N 55.6840 C 32.9471 F 240.2067 N 94.1256 H 27.5717 H 27.7943 H 24.7290 14 3H_4pyramidinone_3_2_0 C 31.1237 O -29.2955 C 31.9669 F 325.0064 C 32.6161 C 169.4991 N -11.6584 C 41.5842 N 66.0107 H 29.1148 H 29.7271 H 29.7271 H 24.0567 H 23.7961 16 3H_4pyramidinone_3_2_1 C 30.7836 O -24.0011 C 39.9133 F 346.6185 C 31.9366 C 169.2876 N 46.0252 C 37.0208 N 185.6054 N 94.0151 H 29.1923 H 29.9456 H 29.9461 H 27.7851 H 28.4355 H 24.9462 17 3H_4pyramidinone_3_2_2 C 30.4616 O -26.4225 C 34.1204 F 332.5070 C 33.7516 C 169.4106 N -9.8186 C 31.3698 C 164.3544 N 66.3115 H 29.1523 H 29.7960 H 29.7961 H 29.5446 H 29.5863 H 29.5864 H 23.9236 14 3H_4pyramidinone_3_2_3 C 30.8601 O -42.8711 C 35.0645 F 333.2097 C 33.4356 C 169.2252 N 35.0892 C 34.8779 F 240.1679 N 88.6318 H 29.1251 H 29.7858 H 29.7859 H 24.2551 11 3H_4pyramidinone_3_3_0 C 28.9525 O -38.8668 C 44.9279 F 343.3770 C 23.0255 F 262.6045 N 8.1948 C 41.9969 N 62.6392 H 24.1699 H 23.6739 13 3H_4pyramidinone_3_3_1 C 28.8508 O -31.8505 C 53.5934 F 366.2097 C 21.9621 F 261.6701 N 61.6375 C 37.4132 N 182.6331 N 92.8373 H 27.6763 H 28.2545 H 24.9603 14 3H_4pyramidinone_3_3_2 C 28.3190 O -35.3381 C 47.4741 F 350.9495 C 23.7133 F 263.6877 N 9.4467 C 30.8743 C 164.7846 N 62.8348 H 29.5384 H 29.5579 H 29.5579 H 23.8601 11 3H_4pyramidinone_3_3_3 C 29.7055 O -50.9226 C 48.3377 F 351.3105 C 23.5669 F 260.3793 N 47.5877 C 34.9127 F 238.2741 N 85.8741 H 24.1744