HMDB0259210 RDKit 3D Trifluperidol 52 54 0 0 0 0 0 0 0 0999 V2000 4.0052 -2.1649 -0.4466 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2765 -0.9839 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1257 -0.1333 0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1328 0.0014 -0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9755 0.8911 -0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2043 0.5451 0.6992 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8223 1.6275 0.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 1.1088 -0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7203 0.1452 0.8625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0926 0.9374 1.9695 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9332 -0.2883 0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9098 -1.2059 -0.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0652 -1.5899 -1.5018 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2810 -1.0551 -1.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3452 -0.1389 -0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6743 0.4200 0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3843 0.7265 -0.8979 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.3083 -0.3683 1.1366 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.3766 1.6786 0.8074 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1790 0.2328 0.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 -0.8496 1.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3569 -0.7571 0.7701 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6537 -0.5502 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9365 0.7790 0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2450 1.2084 0.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2629 0.3206 0.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5189 0.8115 0.3680 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0207 -0.9947 -0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7119 -1.4070 -0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3774 0.8524 0.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6645 -0.7285 1.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6737 0.5699 -1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8853 -0.9644 -1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4272 1.9170 -0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3461 0.9717 -1.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4008 2.5768 0.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1712 1.7490 1.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6275 1.9064 -0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5464 0.4697 -0.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3452 1.8272 1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9325 -1.6392 -1.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0882 -2.2929 -2.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1953 -1.3213 -1.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2359 0.9258 1.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0694 -1.9154 1.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6669 -0.8408 2.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3309 -1.3460 -0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2888 -1.3330 1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1696 1.5454 0.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4374 2.2485 0.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8477 -1.6621 -0.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5620 -2.4632 -0.3521 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 1 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 15 20 2 0 9 21 1 0 21 22 1 0 2 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 22 6 1 0 29 23 1 0 20 11 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 7 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 10 40 1 0 12 41 1 0 13 42 1 0 14 43 1 0 20 44 1 0 21 45 1 0 21 46 1 0 22 47 1 0 22 48 1 0 24 49 1 0 25 50 1 0 28 51 1 0 29 52 1 0 M END