@MOLECULE 1-(4-(3-(4-(bis(4-fluorophenyl)hydroxymethyl)-1-piperidinyl)propoxy)-3-methoxyphenyl)ethanone 70 73 0 0 0 SMALL GASTEIGER @ATOM 1 F 3.6776 5.3361 1.5896 F 1 UNL11 -0.1740 2 F 7.3631 -2.5055 -1.4260 F 1 UNL11 -0.1749 3 O 1.8201 0.2768 -1.5209 O.3 1 UNL11 -0.5375 4 O -4.1056 -2.4563 0.4280 O.3 1 UNL11 -0.3176 5 O -4.7698 -0.5314 1.9538 O.3 1 UNL11 -0.2787 6 O -5.2388 2.6741 -3.0899 O.2 1 UNL11 -0.4639 7 N -0.7858 -2.1684 1.1153 N.3 1 UNL11 -0.4300 8 C 1.6578 -0.6534 0.6090 C.3 1 UNL11 -0.1076 9 C 1.4414 -2.0740 0.0676 C.3 1 UNL11 -0.2840 10 C 0.2843 0.0229 0.7342 C.3 1 UNL11 -0.2798 11 C 2.5750 0.1814 -0.3273 C.3 1 UNL11 0.2726 12 C 0.5232 -2.8567 1.0241 C.3 1 UNL11 -0.1064 13 C -0.6311 -0.7969 1.6587 C.3 1 UNL11 -0.1108 14 C -1.7587 -2.9508 1.9148 C.3 1 UNL11 -0.1172 15 C 2.8599 1.5765 0.2058 C.ar 1 UNL11 -0.0864 16 C 3.8806 -0.5389 -0.6093 C.ar 1 UNL11 -0.1099 17 C -2.4446 -3.9920 1.0058 C.3 1 UNL11 -0.2911 18 C 2.9460 1.8178 1.5795 C.ar 1 UNL11 -0.1213 19 C 3.9804 -1.3392 -1.7507 C.ar 1 UNL11 -0.1037 20 C 3.0593 2.6279 -0.6925 C.ar 1 UNL11 -0.1025 21 C 4.9661 -0.4249 0.2603 C.ar 1 UNL11 -0.1071 22 C -3.1119 -3.2971 -0.1820 C.3 1 UNL11 -0.0385 23 C 3.2232 3.0929 2.0642 C.ar 1 UNL11 -0.2140 24 C 5.1621 -2.0142 -2.0422 C.ar 1 UNL11 -0.2249 25 C 3.3375 3.9138 -0.2356 C.ar 1 UNL11 -0.2124 26 C 6.1599 -1.0898 -0.0077 C.ar 1 UNL11 -0.2204 27 C 3.4129 4.1185 1.1404 C.ar 1 UNL11 0.1968 28 C 6.2314 -1.8704 -1.1598 C.ar 1 UNL11 0.2023 29 C -4.3798 -1.2987 -0.2140 C.ar 1 UNL11 0.2125 30 C -4.8140 -0.2329 0.6249 C.ar 1 UNL11 0.1245 31 C -4.3228 -1.1188 -1.5895 C.ar 1 UNL11 -0.2672 32 C -5.2220 0.9657 0.0679 C.ar 1 UNL11 -0.2091 33 C -4.7167 0.1037 -2.1412 C.ar 1 UNL11 -0.0670 34 C -5.1765 1.1306 -1.3256 C.ar 1 UNL11 -0.1725 35 C -5.6001 2.3957 -1.9699 C.2 1 UNL11 0.4979 36 C -5.1307 0.5133 2.8466 C.3 1 UNL11 -0.2152 37 C -6.5075 3.3202 -1.2086 C.3 1 UNL11 -0.5459 38 H 2.1468 -0.7225 1.6084 H 1 UNL11 0.1336 39 H 0.9769 -2.0208 -0.9385 H 1 UNL11 0.1695 40 H 2.3989 -2.6091 -0.0509 H 1 UNL11 0.1366 41 H 0.3767 1.0563 1.1092 H 1 UNL11 0.1396 42 H -0.1825 0.1036 -0.2721 H 1 UNL11 0.1778 43 H 1.0161 -2.9790 2.0117 H 1 UNL11 0.1072 44 H 0.3492 -3.8766 0.6182 H 1 UNL11 0.1315 45 H -1.6398 -0.3251 1.6832 H 1 UNL11 0.1424 46 H -0.2382 -0.7887 2.6964 H 1 UNL11 0.1067 47 H -2.5458 -2.2669 2.3130 H 1 UNL11 0.1569 48 H -1.3003 -3.4521 2.7911 H 1 UNL11 0.1107 49 H 2.3153 0.7428 -2.2253 H 1 UNL11 0.3110 50 H -3.1968 -4.5491 1.5968 H 1 UNL11 0.1488 51 H -1.7153 -4.7341 0.6346 H 1 UNL11 0.1451 52 H 2.7921 1.0073 2.2938 H 1 UNL11 0.1598 53 H 3.1192 -1.4493 -2.4158 H 1 UNL11 0.1726 54 H 2.9999 2.4561 -1.7677 H 1 UNL11 0.1528 55 H 4.8914 0.1912 1.1577 H 1 UNL11 0.1623 56 H -3.6455 -3.9975 -0.8439 H 1 UNL11 0.1221 57 H -2.3742 -2.6969 -0.7505 H 1 UNL11 0.1612 58 H 3.2871 3.2787 3.1343 H 1 UNL11 0.1719 59 H 5.2436 -2.6361 -2.9313 H 1 UNL11 0.1730 60 H 3.4914 4.7320 -0.9370 H 1 UNL11 0.1750 61 H 7.0101 -0.9972 0.6650 H 1 UNL11 0.1739 62 H -3.9802 -1.9185 -2.2404 H 1 UNL11 0.1697 63 H -5.5640 1.7836 0.6955 H 1 UNL11 0.1612 64 H -4.6630 0.2534 -3.2232 H 1 UNL11 0.1720 65 H -4.9871 0.0355 3.8254 H 1 UNL11 0.1520 66 H -6.1789 0.7983 2.7161 H 1 UNL11 0.1326 67 H -4.4627 1.3734 2.7397 H 1 UNL11 0.1345 68 H -5.9609 3.8394 -0.4109 H 1 UNL11 0.1715 69 H -7.3508 2.7843 -0.7559 H 1 UNL11 0.1711 70 H -6.9225 4.0956 -1.8707 H 1 UNL11 0.1786 @BOND 1 1 27 1 2 2 28 1 3 3 11 1 4 3 49 1 5 4 22 1 6 4 29 1 7 5 30 1 8 5 36 1 9 6 35 2 10 7 12 1 11 7 13 1 12 7 14 1 13 8 9 1 14 8 10 1 15 8 11 1 16 8 38 1 17 9 12 1 18 9 39 1 19 9 40 1 20 10 13 1 21 10 41 1 22 10 42 1 23 11 15 1 24 11 16 1 25 12 43 1 26 12 44 1 27 13 45 1 28 13 46 1 29 14 17 1 30 14 47 1 31 14 48 1 32 15 18 ar 33 15 20 ar 34 16 19 ar 35 16 21 ar 36 17 22 1 37 17 50 1 38 17 51 1 39 18 23 ar 40 18 52 1 41 19 24 ar 42 19 53 1 43 20 25 ar 44 20 54 1 45 21 26 ar 46 21 55 1 47 22 56 1 48 22 57 1 49 23 27 ar 50 23 58 1 51 24 28 ar 52 24 59 1 53 25 27 ar 54 25 60 1 55 26 28 ar 56 26 61 1 57 29 30 ar 58 29 31 ar 59 30 32 ar 60 31 33 ar 61 31 62 1 62 32 34 ar 63 32 63 1 64 33 34 ar 65 33 64 1 66 34 35 1 67 35 37 1 68 36 65 1 69 36 66 1 70 36 67 1 71 37 68 1 72 37 69 1 73 37 70 1