HMDB0249194 RDKit 3D BIDISOMIDE 62 63 0 0 0 0 0 0 0 0999 V2000 -5.4130 -1.0407 -0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0569 -0.7321 -0.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9638 -0.1645 -2.1193 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9191 -1.0418 -0.2173 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5887 -0.6662 -0.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3366 0.6939 -0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0144 1.3403 -0.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 0.4517 -0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4763 0.6901 -0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1310 -0.4546 0.3681 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5719 -0.2666 0.2871 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2412 -1.3088 1.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6476 -2.6908 0.8902 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9228 -2.6258 -0.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7691 -1.6390 -0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1301 1.3633 -2.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1112 0.2262 -2.9835 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4732 2.4330 -2.7527 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 2.7048 -0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9832 3.0714 0.8189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0087 4.3563 1.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1007 5.2994 0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8115 4.9712 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 3.6811 -0.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9612 3.3372 -1.8333 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.0074 -1.7125 1.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4787 -3.1523 0.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7797 -1.0003 2.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6648 -0.2757 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1225 -0.9805 -1.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5596 -2.0104 -0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6597 -0.7698 -1.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8804 -1.4189 -0.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2713 0.5914 0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1811 1.3587 -0.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8118 -0.6228 -0.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8504 0.3877 0.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8496 1.5855 0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9178 0.6473 -1.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 0.7266 0.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8549 -0.3395 -0.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 -1.3757 0.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1709 -1.0814 2.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4248 -3.4622 0.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 -2.9751 1.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5843 -2.3491 -1.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 -3.6210 -0.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9258 -2.1497 0.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4303 -1.4762 -1.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -0.6398 -2.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1884 0.1375 -4.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7189 2.3743 1.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7292 4.6090 2.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 6.3053 1.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5428 5.6668 -0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9432 -1.7991 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6862 -3.4309 -0.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6824 -3.8703 1.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3669 -3.3525 1.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3030 -1.1408 3.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9224 0.0876 1.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7834 -1.4603 2.1741 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 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 7 16 1 0 16 17 1 0 16 18 2 0 7 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 4 26 1 0 26 27 1 0 26 28 1 0 15 10 1 0 24 19 1 0 1 29 1 0 1 30 1 0 1 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 17 50 1 0 17 51 1 0 20 52 1 0 21 53 1 0 22 54 1 0 23 55 1 0 26 56 1 0 27 57 1 0 27 58 1 0 27 59 1 0 28 60 1 0 28 61 1 0 28 62 1 0 M END