HMDB0014983 RDKit 3D Clofazimine 55 59 0 0 0 0 0 0 0 0999 V2000 -2.2574 2.4931 3.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6761 1.9168 1.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1548 3.1530 1.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5857 1.3315 1.2515 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 0.5838 0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4191 0.6026 0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1993 -0.1808 -0.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5469 -0.1555 -0.0017 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 0.6943 0.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5186 1.9977 0.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0934 2.7200 1.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3122 2.2018 2.9738 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0448 3.1839 4.2028 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9478 0.9003 3.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3701 0.1741 2.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2727 -0.9546 -0.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6571 -0.9202 -0.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4649 -1.7162 -1.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8749 -2.5499 -2.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5061 -2.5597 -2.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6731 -1.7804 -1.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3349 -1.8155 -1.8967 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5307 -1.0337 -1.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8356 -1.0462 -1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6045 -0.2432 -0.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 -0.1943 -0.5995 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8175 -1.0949 -1.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9346 -0.6368 -2.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7588 -1.4884 -2.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5053 -2.8390 -2.7429 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5714 -3.9362 -3.6377 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.4152 -3.3150 -2.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5873 -2.4424 -1.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1474 2.8350 3.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8059 1.6637 3.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5249 3.2678 2.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 1.3167 2.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4291 3.9592 1.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1709 3.4311 1.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0871 2.9317 -0.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9049 1.2371 1.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3416 2.3986 -0.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3841 3.7366 1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1068 0.4575 4.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0870 -0.8447 2.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 -0.2821 0.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5573 -1.7165 -1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5145 -3.1802 -2.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0703 -3.2107 -3.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -1.6816 -2.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5419 0.5828 -0.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1158 0.4387 -1.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6148 -1.1063 -3.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2345 -4.3832 -2.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7674 -2.9015 -0.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 3 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 8 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 30 32 1 0 32 33 2 0 25 5 1 0 33 27 1 0 23 7 1 0 15 9 1 0 21 16 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 3 38 1 0 3 39 1 0 3 40 1 0 6 41 1 0 10 42 1 0 11 43 1 0 14 44 1 0 15 45 1 0 17 46 1 0 18 47 1 0 19 48 1 0 20 49 1 0 24 50 1 0 26 51 1 0 28 52 1 0 29 53 1 0 32 54 1 0 33 55 1 0 M END