HMDB0014593 RDKit 3D Droperidol 50 53 0 0 0 0 0 0 0 0999 V2000 -4.0930 2.0748 -1.2077 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2279 1.0732 -0.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0585 0.6088 0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2277 -0.4200 -0.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0669 -0.8521 0.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2168 0.2469 0.7351 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5237 0.7935 -0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9723 0.3395 -0.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 0.4032 0.7627 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9448 0.0509 1.0039 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5218 -0.2131 2.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8687 -0.2183 3.2984 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8300 -0.4610 2.0919 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1388 -0.3631 0.7936 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3628 -0.5161 0.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4544 -0.3480 -1.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3303 -0.0298 -1.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1067 0.1190 -1.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9642 -0.0417 0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 0.9540 1.8713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5685 0.0211 1.9202 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5257 0.4233 -0.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6993 -0.6965 0.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9241 -1.3425 0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0038 -0.8699 -0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2359 -1.4642 -0.1338 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.8731 0.2601 -0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6327 0.8801 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3669 1.4770 0.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3391 0.1802 1.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9015 0.0756 -1.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8681 -1.2954 -0.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4098 -1.4235 1.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4632 -1.5588 -0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0368 0.4989 -1.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5209 1.8800 -0.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3836 -0.0371 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4996 -0.6899 2.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2292 -0.7674 0.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4288 -0.4764 -1.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3572 0.1107 -2.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2663 0.3963 -1.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2602 1.1062 2.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 1.9328 1.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9148 -1.0520 1.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0088 0.1218 2.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8448 -1.1006 0.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9982 -2.2154 1.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6950 0.6569 -1.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4971 1.7681 -1.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 9 20 1 0 20 21 1 0 2 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 2 0 21 6 1 0 28 22 1 0 19 10 1 0 19 14 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 13 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 18 42 1 0 20 43 1 0 20 44 1 0 21 45 1 0 21 46 1 0 23 47 1 0 24 48 1 0 27 49 1 0 28 50 1 0 M END