HMDB0030375 RDKit 3D Citracridone I 45 48 0 0 0 0 0 0 0 0999 V2000 -3.2278 -2.6992 0.7723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1634 -2.0078 -0.5103 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3498 -0.6266 -0.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6852 -0.1723 -0.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6850 -1.1005 -0.4902 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9164 1.1757 -0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8463 2.0493 -0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5574 1.6014 -0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5516 2.4918 -0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 3.7338 0.1068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2535 2.0751 -0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7884 2.9670 0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5919 4.2976 0.2075 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 2.4817 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3761 1.1647 -0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3229 0.2334 -0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0039 0.6917 -0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0046 -0.1885 -0.3202 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7749 -1.4826 -0.8973 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3034 0.2483 -0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6326 -1.1703 -0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9065 -1.5400 0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0213 -0.6100 0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1522 -1.0438 -0.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6315 -0.5951 1.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6687 0.6954 -0.1052 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -3.7743 0.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1695 -2.3796 1.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3949 -2.2220 1.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4885 -2.0706 -0.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9336 1.5477 -0.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0840 3.1077 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1031 4.9263 0.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8997 3.1940 0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5968 -1.5331 -1.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8922 -2.3912 -0.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0354 -1.4304 -1.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9657 -1.9479 -0.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1227 -2.5901 0.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0003 -0.6570 -1.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1237 -0.6620 -0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2020 -2.1493 -0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8518 -0.3650 2.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3395 0.2598 1.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1643 -1.5331 1.8174 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 4 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 1 0 16 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 20 3 1 0 20 8 2 0 17 11 1 0 26 15 1 0 1 27 1 0 1 28 1 0 1 29 1 0 5 30 1 0 6 31 1 0 7 32 1 0 13 33 1 0 14 34 1 0 19 35 1 0 19 36 1 0 19 37 1 0 21 38 1 0 22 39 1 0 24 40 1 0 24 41 1 0 24 42 1 0 25 43 1 0 25 44 1 0 25 45 1 0 M END