@MOLECULE (1r)-2-[4-(3-iodophenyl)-1-piperidinyl]cyclohexanol 44 46 0 0 0 SMALL USER_CHARGES @ATOM 1 I -4.0090 -1.2090 -0.0450 I 1 UNL111111 -0.0251 2 O 6.5318 -0.3793 -1.3018 O.3 1 UNL111111 -0.5700 3 N 3.2196 0.5566 0.0304 N.3 1 UNL111111 -0.4403 4 C 4.7088 0.4804 0.0131 C.3 1 UNL111111 -0.0143 5 C 5.1353 -0.4911 -1.1326 C.3 1 UNL111111 0.1553 6 C 5.3094 -0.0575 1.3298 C.3 1 UNL111111 -0.2881 7 C 2.7292 1.3111 -1.1559 C.3 1 UNL111111 -0.1108 8 C 2.6971 1.1858 1.2709 C.3 1 UNL111111 -0.1055 9 C 0.6046 1.8879 0.0556 C.3 1 UNL111111 -0.1174 10 C 1.1924 1.2484 -1.2130 C.3 1 UNL111111 -0.2736 11 C 1.1574 1.1351 1.2762 C.3 1 UNL111111 -0.2781 12 C 4.7168 -1.9364 -0.8556 C.3 1 UNL111111 -0.3231 13 C 4.8459 -1.4901 1.6177 C.3 1 UNL111111 -0.2628 14 C 5.2642 -2.4362 0.4854 C.3 1 UNL111111 -0.2572 15 C -0.8975 1.8484 0.0357 C.ar 1 UNL111111 0.0134 16 C -1.5834 0.6307 0.0023 C.ar 1 UNL111111 -0.1832 17 C -1.6165 3.0461 0.0544 C.ar 1 UNL111111 -0.1765 18 C -2.9736 0.6362 -0.0064 C.ar 1 UNL111111 -0.0439 19 C -3.0089 3.0312 0.0435 C.ar 1 UNL111111 -0.1211 20 C -3.7017 1.8212 0.0130 C.ar 1 UNL111111 -0.1750 21 H 5.1647 1.4835 -0.1951 H 1 UNL111111 0.1230 22 H 4.7611 -0.1437 -2.1240 H 1 UNL111111 0.1341 23 H 5.0620 0.6066 2.1772 H 1 UNL111111 0.1358 24 H 6.4145 -0.0214 1.2565 H 1 UNL111111 0.1395 25 H 3.1405 0.8370 -2.0737 H 1 UNL111111 0.1371 26 H 3.0705 2.3680 -1.1565 H 1 UNL111111 0.1146 27 H 3.0474 2.2309 1.3962 H 1 UNL111111 0.1120 28 H 3.0634 0.6056 2.1457 H 1 UNL111111 0.1403 29 H 0.9510 2.9516 0.1087 H 1 UNL111111 0.1445 30 H 0.8242 1.7633 -2.1173 H 1 UNL111111 0.1403 31 H 0.8684 0.1931 -1.2980 H 1 UNL111111 0.1554 32 H 0.8257 0.0787 1.2601 H 1 UNL111111 0.1548 33 H 0.7687 1.5708 2.2131 H 1 UNL111111 0.1394 34 H 5.0572 -2.5904 -1.6786 H 1 UNL111111 0.1439 35 H 3.6069 -1.9872 -0.8486 H 1 UNL111111 0.1676 36 H 3.7411 -1.5091 1.7192 H 1 UNL111111 0.1551 37 H 5.2546 -1.8385 2.5817 H 1 UNL111111 0.1289 38 H 6.3645 -2.5310 0.4465 H 1 UNL111111 0.1266 39 H 4.8840 -3.4555 0.6868 H 1 UNL111111 0.1356 40 H 7.0141 -0.8342 -0.5831 H 1 UNL111111 0.3182 41 H -1.0138 -0.2995 -0.0150 H 1 UNL111111 0.1725 42 H -1.0891 3.9987 0.0775 H 1 UNL111111 0.1583 43 H -3.5627 3.9688 0.0616 H 1 UNL111111 0.1553 44 H -4.7907 1.8294 0.0058 H 1 UNL111111 0.1650 @BOND 1 22 5 1 2 30 10 1 3 25 7 1 4 34 12 1 5 2 5 1 6 2 40 1 7 31 10 1 8 10 7 1 9 10 9 1 10 26 7 1 11 7 3 1 12 5 12 1 13 5 4 1 14 12 35 1 15 12 14 1 16 21 4 1 17 1 18 1 18 41 16 1 19 18 16 ar 20 18 20 ar 21 16 15 ar 22 44 20 1 23 20 19 ar 24 4 3 1 25 4 6 1 26 3 8 1 27 15 17 ar 28 15 9 1 29 19 17 ar 30 19 43 1 31 17 42 1 32 9 29 1 33 9 11 1 34 38 14 1 35 14 39 1 36 14 13 1 37 24 6 1 38 32 11 1 39 8 11 1 40 8 27 1 41 8 28 1 42 11 33 1 43 6 13 1 44 6 23 1 45 13 36 1 46 13 37 1