HMDB0014596 RDKit 3D Clomocycline 60 63 0 0 0 0 0 0 0 0999 V2000 -3.6751 -2.5194 -0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9158 -2.3483 1.1672 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3878 -3.6325 1.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9328 -1.3088 1.1560 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5913 -0.0118 0.9591 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1357 0.6290 2.0499 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6957 0.5864 -0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3621 1.8861 -0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8334 2.3918 0.6844 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5034 2.5731 -1.5789 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1800 3.8505 -1.6247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4755 4.7322 -0.7853 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1173 -0.1204 -1.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6352 -0.0786 -2.4729 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8686 -0.9108 -1.1088 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8730 -1.9511 -2.1083 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 -0.0553 -1.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0319 0.8474 -2.5705 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 -0.0922 -0.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4474 0.8265 -1.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 1.3555 -2.5561 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6118 1.1068 -0.5823 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6031 1.9725 -0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5886 2.6144 -2.1808 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6992 2.2367 -0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7645 1.6235 1.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7657 0.7458 1.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9991 0.0621 3.0684 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6801 0.4710 0.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6839 -0.4706 1.1669 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3303 -1.6677 1.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9521 0.2248 2.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6802 -0.9843 0.1797 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4735 -1.3902 0.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7769 -1.5751 0.1988 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1475 -2.8650 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4361 -3.3277 0.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 -1.6101 -0.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0282 -4.2110 0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1632 -4.2306 2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5081 -3.4523 2.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5271 -1.2855 2.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0725 0.3872 2.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1237 2.1767 -2.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2235 3.7994 -1.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2192 4.2643 -2.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6569 4.9887 -1.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2066 -1.5065 -2.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 0.4714 -3.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9455 2.5770 -2.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4795 2.9156 -0.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6323 1.8405 1.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1621 -1.6182 2.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 -2.6115 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3582 -1.8417 1.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6193 1.0753 1.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1358 -1.9268 -0.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -0.6154 1.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7392 -2.3133 1.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8537 -2.6993 0.0249 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 1 0 5 6 1 0 5 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 7 13 1 0 13 14 2 0 13 15 1 0 15 16 1 6 15 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 27 29 2 0 29 30 1 0 30 31 1 0 30 32 1 1 30 33 1 0 33 34 1 0 34 35 1 0 35 4 1 0 35 15 1 0 33 19 1 0 29 22 1 0 1 36 1 0 1 37 1 0 1 38 1 0 3 39 1 0 3 40 1 0 3 41 1 0 4 42 1 1 6 43 1 0 10 44 1 0 11 45 1 0 11 46 1 0 12 47 1 0 16 48 1 0 18 49 1 0 24 50 1 0 25 51 1 0 26 52 1 0 31 53 1 0 31 54 1 0 31 55 1 0 32 56 1 0 33 57 1 6 34 58 1 0 34 59 1 0 35 60 1 6 M END