HMDB0015358 RDKit 3D Levomethadyl Acetate 57 58 0 0 0 0 0 0 0 0999 V2000 -2.1479 2.0441 -2.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0142 1.1919 -1.9483 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1855 0.7940 -0.4550 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2428 1.8920 0.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2939 2.5209 0.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1654 3.7359 1.8076 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4334 1.9979 0.7236 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2566 -0.3186 -0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1972 -0.0992 -0.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9535 0.8573 0.4033 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6086 2.2978 0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3726 0.6248 0.0783 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8121 -0.6896 0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2367 1.6892 0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -1.3927 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0527 -1.8664 -2.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4704 -2.8360 -3.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7757 -3.3027 -2.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5677 -2.8170 -1.8504 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0192 -1.8361 -1.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4174 -1.0707 1.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9986 -0.6313 2.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 -1.4468 3.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5619 -2.7350 3.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0279 -3.1873 2.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0957 -2.3707 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0492 3.1244 -2.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 2.0100 -3.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0849 1.6033 -1.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1651 0.2008 -2.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0116 1.5131 -2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2414 0.3822 -0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5424 3.5239 2.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7605 4.5725 1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1275 4.0834 1.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4005 0.1983 -1.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -1.1103 -0.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9369 0.5752 1.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0845 2.6130 1.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1349 2.6546 -0.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 2.9417 0.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1118 -1.0890 1.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6971 -1.3686 -0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8600 -0.7326 0.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2868 1.2492 0.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1286 2.1177 1.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2828 2.4234 -0.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0502 -1.5019 -2.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1124 -3.2428 -3.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2021 -4.0629 -3.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5878 -3.1722 -1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6609 -1.4844 -0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 0.3468 2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5476 -1.0881 4.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6184 -3.3896 4.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4379 -4.1836 2.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5682 -2.7531 0.2049 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 1 0 5 7 2 0 3 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 8 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 8 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 20 15 1 0 26 21 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 6 6 33 1 0 6 34 1 0 6 35 1 0 9 36 1 0 9 37 1 0 10 38 1 1 11 39 1 0 11 40 1 0 11 41 1 0 13 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 14 47 1 0 16 48 1 0 17 49 1 0 18 50 1 0 19 51 1 0 20 52 1 0 22 53 1 0 23 54 1 0 24 55 1 0 25 56 1 0 26 57 1 0 M END