HMDB0060510 RDKit 3D SN-38 49 53 0 0 0 0 0 0 0 0999 V2000 3.9370 1.6116 -2.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7300 1.7923 -0.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9366 0.6765 -0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 0.6597 -0.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8397 -0.3772 0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4088 -1.3799 0.7119 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7589 -1.4013 0.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -2.4390 1.6135 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7061 -2.4759 1.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4671 -1.4505 1.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8476 -1.4490 1.4638 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8633 -0.4114 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4918 -0.3665 0.3705 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5546 -0.0904 -0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6703 -0.8614 -0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9097 -0.3880 -0.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0002 0.7666 -1.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8434 1.5076 -1.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8905 2.5515 -2.1308 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6578 1.0415 -1.0445 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6642 1.6037 -1.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3100 1.2655 -1.6654 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4153 0.4872 -1.3848 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2537 -0.8128 -0.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1116 -1.6900 -1.2032 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0815 -1.2081 -0.1238 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8228 -2.5840 -0.2226 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3844 -0.9424 1.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6863 0.5387 1.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0101 1.8217 -2.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6452 0.5912 -2.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3561 2.3219 -3.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6212 2.0724 -0.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0573 2.7127 -0.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7376 -3.2471 2.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2165 -3.2592 2.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3975 -0.6948 1.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4579 0.3884 0.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6078 -1.7663 0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9296 1.7325 -2.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6999 2.5744 -0.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4464 2.3422 -1.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2125 1.3080 -2.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6976 -3.0555 -0.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2527 -1.5079 1.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4981 -1.1594 1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8293 1.1766 1.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6194 0.8229 1.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9231 0.6508 2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 5 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 17 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 1 26 28 1 0 28 29 1 0 13 3 1 0 20 14 1 0 21 4 1 0 13 7 1 0 26 16 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 8 35 1 0 9 36 1 0 11 37 1 0 12 38 1 0 15 39 1 0 21 40 1 0 21 41 1 0 22 42 1 0 22 43 1 0 27 44 1 0 28 45 1 0 28 46 1 0 29 47 1 0 29 48 1 0 29 49 1 0 M END