HMDB0032808 RDKit 3D Niazirinin 42 43 0 0 0 0 0 0 0 0999 V2000 -5.8499 1.7944 -0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9580 0.6258 -0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4240 -0.4713 -0.5549 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 0.6635 0.1429 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7641 -0.4731 0.0507 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6546 -0.0817 -0.9323 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2350 0.4577 -2.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8057 -1.1444 -1.1292 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0088 -1.2539 0.0250 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7196 -0.0863 0.2434 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0686 0.0727 0.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 -0.9477 0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3261 -0.7599 0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7889 0.4976 0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2632 0.7326 0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6923 1.0634 -0.9903 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0449 1.3355 -2.0621 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9520 1.5651 0.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5861 1.3379 0.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8497 -1.5755 1.2365 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2303 -2.9270 1.2416 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0506 -0.7113 1.3825 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9168 -1.3502 2.2865 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2308 1.9663 0.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6673 1.6657 -0.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2665 2.6833 -0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2908 -1.3683 -0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0867 0.7253 -0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7371 -0.3490 -2.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9861 1.2142 -1.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4322 0.9530 -2.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -2.1405 -0.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5932 -1.9521 -0.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9807 -1.6082 -0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8091 -0.1719 0.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4757 1.5320 1.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3827 2.5319 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9053 2.1524 0.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2029 -1.4190 2.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 -3.4382 0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7547 0.2988 1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3354 -1.6395 3.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 3 0 14 18 1 0 18 19 2 0 9 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 5 1 0 19 11 1 0 1 24 1 0 1 25 1 0 1 26 1 0 5 27 1 6 6 28 1 1 7 29 1 0 7 30 1 0 7 31 1 0 9 32 1 6 12 33 1 0 13 34 1 0 15 35 1 0 15 36 1 0 18 37 1 0 19 38 1 0 20 39 1 1 21 40 1 0 22 41 1 1 23 42 1 0 M END