@MOLECULE w-[4-hydroxy-4-(m-trifluoromethylphenyl)piperidino]-p-fluorobutyrophenone 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 F -8.3136 0.7750 -0.0896 F 1 UNL1111111111 -0.2068 2 F -6.9402 2.0044 0.9106 F 1 UNL1111111111 -0.1985 3 F -6.9412 1.9213 -1.1969 F 1 UNL1111111111 -0.2076 4 F 9.5763 1.9572 -0.4129 F 1 UNL1111111111 -0.1682 5 O -2.3670 0.7498 1.3203 O.3 1 UNL1111111111 -0.5657 6 O 4.5367 -1.1776 1.4976 O.2 1 UNL1111111111 -0.4459 7 N 0.5380 -0.5886 -0.2970 N.3 1 UNL1111111111 -0.4382 8 C -2.2874 -0.2957 0.3629 C.3 1 UNL1111111111 0.3078 9 C -1.4224 -1.4322 0.9299 C.3 1 UNL1111111111 -0.3404 10 C -1.6829 0.2484 -0.9457 C.3 1 UNL1111111111 -0.3390 11 C 0.0520 -1.0046 1.0399 C.3 1 UNL1111111111 -0.1038 12 C -0.1985 0.6073 -0.7713 C.3 1 UNL1111111111 -0.1056 13 C -3.7332 -0.6742 0.1237 C.ar 1 UNL1111111111 -0.0567 14 C 2.0028 -0.3575 -0.2954 C.3 1 UNL1111111111 -0.1169 15 C 2.6992 -1.7184 -0.5076 C.3 1 UNL1111111111 -0.2547 16 C -4.6970 0.3376 0.1735 C.ar 1 UNL1111111111 -0.0673 17 C -4.1155 -1.9785 -0.1825 C.ar 1 UNL1111111111 -0.1197 18 C 4.1827 -1.5231 -0.8269 C.3 1 UNL1111111111 -0.3829 19 C -6.0305 0.0355 -0.0957 C.ar 1 UNL1111111111 -0.1444 20 C -5.4539 -2.2751 -0.4366 C.ar 1 UNL1111111111 -0.1632 21 C -6.4169 -1.2702 -0.3985 C.ar 1 UNL1111111111 -0.0927 22 C 4.9347 -0.9997 0.3714 C.2 1 UNL1111111111 0.4745 23 C -7.0342 1.1512 -0.1092 C.3 1 UNL1111111111 0.5509 24 C 6.1847 -0.2338 0.1293 C.ar 1 UNL1111111111 -0.1992 25 C 6.9416 -0.4039 -1.0313 C.ar 1 UNL1111111111 -0.0669 26 C 6.5948 0.6681 1.1167 C.ar 1 UNL1111111111 -0.0378 27 C 8.1036 0.3368 -1.2261 C.ar 1 UNL1111111111 -0.2443 28 C 7.7498 1.4247 0.9431 C.ar 1 UNL1111111111 -0.2456 29 C 8.4778 1.2418 -0.2318 C.ar 1 UNL1111111111 0.2364 30 H -1.8042 -1.7351 1.9228 H 1 UNL1111111111 0.1600 31 H -1.4842 -2.3223 0.2735 H 1 UNL1111111111 0.1604 32 H -1.7883 -0.5142 -1.7423 H 1 UNL1111111111 0.1638 33 H -2.2481 1.1378 -1.2834 H 1 UNL1111111111 0.1581 34 H 0.6627 -1.8727 1.3773 H 1 UNL1111111111 0.1469 35 H 0.1752 -0.2164 1.8132 H 1 UNL1111111111 0.1126 36 H -0.0876 1.4842 -0.0975 H 1 UNL1111111111 0.1120 37 H 0.2198 0.9066 -1.7586 H 1 UNL1111111111 0.1399 38 H 2.3680 0.1179 0.6395 H 1 UNL1111111111 0.1283 39 H 2.2716 0.3259 -1.1292 H 1 UNL1111111111 0.1331 40 H 2.5826 -2.3515 0.3943 H 1 UNL1111111111 0.1577 41 H 2.1943 -2.2654 -1.3282 H 1 UNL1111111111 0.1563 42 H -1.4756 1.0749 1.5483 H 1 UNL1111111111 0.3208 43 H -4.3885 1.3592 0.4231 H 1 UNL1111111111 0.1884 44 H -3.3747 -2.7767 -0.2311 H 1 UNL1111111111 0.1556 45 H 4.6295 -2.4936 -1.1323 H 1 UNL1111111111 0.1714 46 H 4.2992 -0.8487 -1.6983 H 1 UNL1111111111 0.1641 47 H -5.7467 -3.2976 -0.6697 H 1 UNL1111111111 0.1562 48 H -7.4567 -1.5206 -0.6120 H 1 UNL1111111111 0.1651 49 H 6.6339 -1.1225 -1.7921 H 1 UNL1111111111 0.1563 50 H 6.0017 0.7713 2.0317 H 1 UNL1111111111 0.1768 51 H 8.7008 0.2115 -2.1273 H 1 UNL1111111111 0.1777 52 H 8.0734 2.1325 1.7048 H 1 UNL1111111111 0.1808 @BOND 1 1 23 1 2 2 23 1 3 3 23 1 4 4 29 1 5 5 8 1 6 5 42 1 7 6 22 2 8 7 11 1 9 7 12 1 10 7 14 1 11 8 9 1 12 8 10 1 13 8 13 1 14 9 11 1 15 9 30 1 16 9 31 1 17 10 12 1 18 10 32 1 19 10 33 1 20 11 34 1 21 11 35 1 22 12 36 1 23 12 37 1 24 13 16 ar 25 13 17 ar 26 14 15 1 27 14 38 1 28 14 39 1 29 15 18 1 30 15 40 1 31 15 41 1 32 16 19 ar 33 16 43 1 34 17 20 ar 35 17 44 1 36 18 22 1 37 18 45 1 38 18 46 1 39 19 21 ar 40 19 23 1 41 20 21 ar 42 20 47 1 43 21 48 1 44 22 24 1 45 24 25 ar 46 24 26 ar 47 25 27 ar 48 25 49 1 49 26 28 ar 50 26 50 1 51 27 29 ar 52 27 51 1 53 28 29 ar 54 28 52 1