HMDB0030457 RDKit 3D Cyclochlorotine 69 71 0 0 0 0 0 0 0 0999 V2000 -3.1307 3.4940 -1.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6077 2.7249 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6205 1.6486 -0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2437 0.6890 -1.2016 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2149 -0.2691 -0.7817 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1815 -0.4422 -1.6018 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1437 -1.0221 0.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5162 -0.9396 1.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5510 0.2755 0.3545 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.1856 -2.2759 0.9308 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1291 -3.2544 2.4091 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.2835 -2.9301 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9874 -2.4470 0.3299 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7954 -3.1800 0.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8392 -4.2445 1.2865 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4495 -2.8250 0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2527 -4.1591 -0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2883 -4.9017 0.8952 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -2.0943 -1.1751 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6456 -1.2898 -1.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.4940 -2.5034 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9697 -1.3015 -0.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4022 0.1006 -0.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9034 0.1404 -0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6620 -0.5429 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0393 -0.5105 0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7017 0.2104 -0.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9601 0.9035 -1.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5807 0.8559 -1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9893 0.2898 0.9412 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7722 1.5254 1.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3797 1.7131 2.6962 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9206 2.6360 1.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5872 3.9466 1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8127 3.9073 2.9318 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7074 2.7160 -0.2837 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4499 2.2742 -0.9672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4642 2.4343 -2.2363 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1617 3.8858 -0.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5095 4.4172 -1.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1519 2.9290 -2.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0435 3.4426 0.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4414 2.3610 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2459 1.1280 0.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 0.7222 -2.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3617 -0.5735 1.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4689 -0.7118 2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2274 -2.1849 0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4086 -4.0258 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5429 -2.6871 -1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1314 -2.2444 0.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4339 -4.6949 -0.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1928 -4.0412 -0.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3289 -5.8745 0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2775 -2.1512 -1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7648 -1.6322 -1.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9803 -1.9390 0.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0586 0.8595 -1.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1988 -1.1145 1.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6386 -1.0500 1.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7823 0.2135 -0.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5027 1.4591 -2.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0444 1.4199 -2.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8473 -0.6123 1.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0337 2.5461 1.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9973 4.8019 1.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5795 3.9770 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8892 4.8607 3.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4945 3.1519 -0.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 1 0 8 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 23 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 33 36 1 0 36 37 1 0 37 38 2 0 37 3 1 0 13 7 1 0 29 24 1 0 1 39 1 0 1 40 1 0 1 41 1 0 2 42 1 0 2 43 1 0 3 44 1 0 4 45 1 0 7 46 1 0 8 47 1 0 10 48 1 0 12 49 1 0 12 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 18 54 1 0 19 55 1 0 22 56 1 0 22 57 1 0 23 58 1 0 25 59 1 0 26 60 1 0 27 61 1 0 28 62 1 0 29 63 1 0 30 64 1 0 33 65 1 0 34 66 1 0 34 67 1 0 35 68 1 0 36 69 1 0 M END