HMDB0041460 RDKit 3D Deterrol 32 33 0 0 0 0 0 0 0 0999 V2000 3.6796 -1.3871 0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8629 -0.3727 0.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3272 0.9551 0.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5203 -0.5014 -0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1843 -1.6991 -0.7406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0206 -2.3979 -0.7497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2538 -1.8479 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3697 -2.8221 -0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5801 -0.5271 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8605 -0.0062 -0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8071 1.3593 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4924 1.7642 0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9903 3.1523 0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0893 4.0108 0.4678 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7039 0.6441 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6805 0.6023 -0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3822 -2.3530 0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6710 -1.2684 0.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 1.6871 0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2941 0.8745 1.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5893 1.3522 1.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9575 -2.2175 -1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0358 -3.4615 -0.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9461 -3.8061 -0.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8601 -2.9572 -1.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1022 -2.4456 0.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7397 -0.6307 -0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6804 1.9948 0.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4308 3.2293 1.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3472 3.4159 -0.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5196 4.0982 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1592 1.5615 0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 2 0 16 4 1 0 15 9 1 0 1 17 1 0 1 18 1 0 3 19 1 0 3 20 1 0 3 21 1 0 5 22 1 0 6 23 1 0 8 24 1 0 8 25 1 0 8 26 1 0 10 27 1 0 11 28 1 0 13 29 1 0 13 30 1 0 14 31 1 0 16 32 1 0 M END