HMDB0030636 RDKit 3D Batatasin III 34 35 0 0 0 0 0 0 0 0999 V2000 -5.3637 -0.3472 1.9524 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9515 -0.5517 1.8584 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2654 -0.3168 0.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8822 0.1216 -0.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1044 0.3228 -1.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6701 0.7642 -2.7746 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7437 0.0982 -1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -0.3479 -0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3412 -0.5796 -0.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1405 0.6492 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5916 0.3311 -0.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3636 0.4912 -1.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6981 0.2058 -1.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3046 -0.2759 -0.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5921 -0.4596 1.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1861 -0.9391 2.1799 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2472 -0.1548 1.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9042 -0.5406 0.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6122 0.6753 1.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6761 -0.4624 2.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8347 -1.1380 1.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9571 0.3005 -0.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7351 1.7705 -2.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1476 0.2659 -2.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6543 -0.8685 -1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6584 -1.3896 0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8922 1.0047 0.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9409 1.4971 -0.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8819 0.8657 -2.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3017 0.3320 -2.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3543 -0.5092 -0.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5880 -0.2666 2.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6342 -0.2799 1.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -0.8880 1.5878 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 1 0 5 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 8 18 2 0 18 3 1 0 17 11 1 0 1 19 1 0 1 20 1 0 1 21 1 0 4 22 1 0 6 23 1 0 7 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 12 29 1 0 13 30 1 0 14 31 1 0 16 32 1 0 17 33 1 0 18 34 1 0 M END