HMDB0041988 RDKit 3D Pinazepam 35 37 0 0 0 0 0 0 0 0999 V2000 -3.3321 2.6281 -0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4563 1.4748 0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5853 0.0328 0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2916 -0.4012 0.8090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8614 -0.2704 2.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6928 0.2121 2.9417 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5414 -0.6529 2.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5689 -0.1004 1.9907 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7636 -0.1632 0.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9399 0.4699 0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8519 0.9523 1.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9674 1.6855 0.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1866 1.9527 -0.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3071 1.4921 -1.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.7505 -1.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0671 -0.8995 -0.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6708 -1.5497 -1.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0097 -2.2590 -2.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9004 -3.0792 -3.4010 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -2.3101 -2.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 -1.6698 -1.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4569 -0.9692 -0.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2115 3.6359 -0.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0782 -0.4258 -0.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2801 0.1086 1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4683 -0.2972 3.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5204 -1.7689 2.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6953 0.7494 2.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6614 2.0472 1.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0578 2.5264 -0.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4976 1.7155 -2.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4966 0.4721 -1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7668 -1.5129 -1.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9059 -2.8644 -2.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2072 -1.7120 -1.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 9 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 21 22 2 0 22 4 1 0 15 10 1 0 22 16 1 0 1 23 1 0 3 24 1 0 3 25 1 0 7 26 1 0 7 27 1 0 11 28 1 0 12 29 1 0 13 30 1 0 14 31 1 0 15 32 1 0 17 33 1 0 20 34 1 0 21 35 1 0 M END