@MOLECULE 1-(1-phenylcyclohexyl)piperidine 1-oxide 44 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.7181 1.8177 -0.0104 O.3 1 UNL1 -0.7359 2 N 1.2443 0.6011 -0.0024 N.4 1 UNL1 0.2965 3 C -0.3257 0.7040 -0.0012 C.3 1 UNL1 0.1044 4 C -0.7282 1.5394 1.2375 C.3 1 UNL1 -0.2906 5 C -0.7318 1.5340 -1.2420 C.3 1 UNL1 -0.2903 6 C 1.7403 -0.1542 -1.2327 C.3 1 UNL1 -0.1997 7 C 1.7420 -0.1384 1.2368 C.3 1 UNL1 -0.1999 8 C -2.2318 1.8304 1.2543 C.3 1 UNL1 -0.2609 9 C -2.2359 1.8225 -1.2546 C.3 1 UNL1 -0.2611 10 C -0.9235 -0.6872 0.0007 C.ar 1 UNL1 -0.0462 11 C 3.2728 -0.1927 -1.2426 C.3 1 UNL1 -0.2657 12 C 3.2745 -0.1784 1.2445 C.3 1 UNL1 -0.2657 13 C -2.6438 2.6052 -0.0020 C.3 1 UNL1 -0.2604 14 C 3.7981 -0.9091 0.0047 C.3 1 UNL1 -0.2677 15 C -1.2099 -1.3415 1.2029 C.ar 1 UNL1 -0.1638 16 C -1.2048 -1.3465 -1.2002 C.ar 1 UNL1 -0.1639 17 C -1.7540 -2.6236 1.2057 C.ar 1 UNL1 -0.1413 18 C -1.7484 -2.6286 -1.2004 C.ar 1 UNL1 -0.1413 19 C -2.0235 -3.2726 0.0034 C.ar 1 UNL1 -0.1487 20 H -0.1512 2.4954 1.2066 H 1 UNL1 0.1911 21 H -0.4278 1.0523 2.1800 H 1 UNL1 0.1304 22 H -0.4340 1.0430 -2.1833 H 1 UNL1 0.1304 23 H -0.1558 2.4907 -1.2174 H 1 UNL1 0.1912 24 H 1.3839 0.3790 -2.1378 H 1 UNL1 0.1557 25 H 1.3194 -1.1772 -1.2315 H 1 UNL1 0.1417 26 H 1.3191 -1.1603 1.2497 H 1 UNL1 0.1415 27 H 1.3885 0.4073 2.1359 H 1 UNL1 0.1558 28 H -2.4903 2.4099 2.1598 H 1 UNL1 0.1339 29 H -2.8035 0.8852 1.3197 H 1 UNL1 0.1373 30 H -2.8065 0.8760 -1.3109 H 1 UNL1 0.1374 31 H -2.4983 2.3948 -2.1636 H 1 UNL1 0.1340 32 H 3.6557 0.8534 -1.2628 H 1 UNL1 0.1773 33 H 3.6333 -0.6808 -2.1637 H 1 UNL1 0.1329 34 H 3.6361 -0.6560 2.1706 H 1 UNL1 0.1329 35 H 3.6579 0.8677 1.2525 H 1 UNL1 0.1772 36 H -3.7330 2.7875 -0.0008 H 1 UNL1 0.1286 37 H -2.1626 3.6020 -0.0060 H 1 UNL1 0.1431 38 H 3.4817 -1.9675 0.0111 H 1 UNL1 0.1317 39 H 4.9031 -0.9202 0.0041 H 1 UNL1 0.1361 40 H -1.0164 -0.8511 2.1568 H 1 UNL1 0.1574 41 H -1.0076 -0.8594 -2.1553 H 1 UNL1 0.1574 42 H -1.9709 -3.1176 2.1510 H 1 UNL1 0.1498 43 H -1.9610 -3.1261 -2.1450 H 1 UNL1 0.1499 44 H -2.4483 -4.2735 0.0045 H 1 UNL1 0.1474 @BOND 1 22 5 1 2 33 11 1 3 31 9 1 4 41 16 1 5 43 18 1 6 24 6 1 7 30 9 1 8 32 11 1 9 9 5 1 10 9 13 1 11 11 6 1 12 11 14 1 13 5 23 1 14 5 3 1 15 6 25 1 16 6 2 1 17 18 16 ar 18 18 19 ar 19 16 10 ar 20 1 2 1 21 37 13 1 22 2 3 1 23 2 7 1 24 13 36 1 25 13 8 1 26 3 10 1 27 3 4 1 28 10 15 ar 29 19 44 1 30 19 17 ar 31 39 14 1 32 14 38 1 33 14 12 1 34 15 17 ar 35 15 40 1 36 17 42 1 37 20 4 1 38 7 12 1 39 7 26 1 40 7 27 1 41 4 8 1 42 4 21 1 43 12 35 1 44 12 34 1 45 8 29 1 46 8 28 1