HMDB0254140 RDKit 3D Lobenzarit 30 31 0 0 0 0 0 0 0 0999 V2000 -1.4150 0.5644 -2.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3989 0.4234 -2.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6462 0.4866 -2.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3902 0.2088 -0.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6232 0.0283 -0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7084 -0.2155 1.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 -0.2777 1.9563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3086 -0.1052 1.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2259 0.1413 -0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0495 0.4223 -0.5791 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2494 -0.0943 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -1.3146 0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3626 -1.9390 1.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -3.4633 1.9916 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5757 -1.3287 0.9041 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6168 -0.1315 0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4611 0.5075 -0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6058 1.7838 -0.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6628 2.4680 -1.3714 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8778 2.3419 -1.1332 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2891 -0.2815 -2.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5625 0.0771 -0.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6590 -0.3553 1.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5722 -0.4692 3.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4049 -0.1236 1.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0665 1.0325 -1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3085 -1.8479 0.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4980 -1.7901 1.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5445 0.3690 0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3606 2.8828 -0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 9 4 1 0 17 11 1 0 3 21 1 0 5 22 1 0 6 23 1 0 7 24 1 0 8 25 1 0 10 26 1 0 12 27 1 0 15 28 1 0 16 29 1 0 20 30 1 0 M END