HMDB0250120 RDKit 3D Chlorophacinone 42 45 0 0 0 0 0 0 0 0999 V2000 2.3789 -1.1018 2.4347 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4278 -0.8217 1.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6367 -0.4511 0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9276 -0.2493 0.9597 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9284 0.1095 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6044 0.2577 -1.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3183 0.0540 -1.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3003 -0.3041 -0.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8796 -0.5787 -1.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -0.5899 -2.1203 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2574 -0.8348 0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2519 0.1961 0.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4819 0.9097 1.6151 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 0.3816 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8574 1.4569 0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 1.4781 1.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8924 2.4665 2.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4708 3.4587 1.6026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2077 3.4087 0.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 2.4369 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7565 -0.8623 -0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8463 -1.8207 0.6586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5434 -3.0001 0.4801 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1695 -3.2316 -0.7267 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0713 -4.7317 -0.9901 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 -2.2673 -1.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3794 -1.0859 -1.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1460 -0.3736 2.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9126 0.2564 0.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 0.5366 -1.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1212 0.1833 -2.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8036 -1.8547 0.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6903 0.7543 -1.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6641 0.7081 2.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0794 2.4746 3.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0921 4.2262 2.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6541 4.1866 -0.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2265 2.4186 -1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3732 -1.6786 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5909 -3.7223 1.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5576 -2.4436 -2.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3351 -0.3554 -2.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 9 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 14 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 2 0 11 2 1 0 20 15 1 0 27 21 1 0 8 3 1 0 4 28 1 0 5 29 1 0 6 30 1 0 7 31 1 0 11 32 1 0 14 33 1 0 16 34 1 0 17 35 1 0 18 36 1 0 19 37 1 0 20 38 1 0 22 39 1 0 23 40 1 0 26 41 1 0 27 42 1 0 M END