HMDB0033081 RDKit 3D Antibiotic CP 412065 65 70 0 0 0 0 0 0 0 0999 V2000 -4.1973 1.5669 -2.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5652 1.8136 -0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 2.5448 -0.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4784 0.4879 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4492 -0.1957 0.3508 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 0.0115 0.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4227 0.4214 1.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9554 1.0754 1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8653 1.0147 0.6218 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1273 1.7566 0.8374 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0195 2.9777 0.1801 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3318 1.0423 0.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3897 1.9520 0.2706 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8018 -0.2009 0.9278 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3395 -1.4132 0.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0803 -1.2387 0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -2.0597 -0.2611 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0489 -1.1316 -0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6003 0.2047 -0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9431 -0.2817 -1.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8502 -1.0889 -2.2094 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0143 0.7275 -1.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1079 0.2664 -1.8485 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3518 -1.2833 -0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7535 -1.3111 -1.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8436 -2.5388 0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3252 -2.6508 0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 -1.4831 0.9183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7815 -1.4660 2.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4107 -1.4447 0.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7157 -0.3209 0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4446 2.5466 -2.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5305 0.9628 -2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1590 1.0556 -1.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3658 2.4502 -0.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 3.5967 -1.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7882 2.1601 -1.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6979 2.7905 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 0.7751 -0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0607 1.2230 2.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3885 -0.3669 2.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 1.6945 2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2987 1.9778 1.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1317 3.3716 0.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1665 2.8138 0.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3797 -0.2630 1.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8825 -0.2925 1.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6995 -0.7736 1.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0876 -1.0870 1.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9974 0.6657 -1.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6935 -1.1115 -2.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6665 1.6623 -1.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3897 -0.6372 -1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7969 -2.3783 -2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7322 -0.8558 -1.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0159 -0.8427 -2.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5229 -2.5222 1.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3325 -3.3778 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6880 -2.8687 -0.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6168 -3.5596 0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7334 -1.8722 2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6946 -0.4042 2.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 -2.1056 2.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1598 -2.2062 0.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7177 0.0246 -0.1177 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 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 18 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 2 0 31 4 1 0 28 5 1 0 24 6 1 0 19 9 1 0 22 12 1 0 20 16 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 3 36 1 0 3 37 1 0 3 38 1 0 6 39 1 0 7 40 1 0 7 41 1 0 8 42 1 0 10 43 1 0 11 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 16 48 1 0 18 49 1 0 19 50 1 0 21 51 1 0 22 52 1 0 23 53 1 0 25 54 1 0 25 55 1 0 25 56 1 0 26 57 1 0 26 58 1 0 27 59 1 0 27 60 1 0 29 61 1 0 29 62 1 0 29 63 1 0 30 64 1 0 31 65 1 0 M END