@MOLECULE trans-4-cyano-4-[3-(cyclopentyloxy)-4-methoxyphenyl]cyclohexanecarboxylic acid 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.2788 -0.3413 0.4661 O.3 1 UNL1111111111 -0.3729 2 O 6.2219 -0.3729 -1.0632 O.3 1 UNL1111111111 -0.5750 3 O 4.5580 -1.5631 -0.1991 O.2 1 UNL1111111111 -0.5145 4 O -2.7257 -3.0777 -0.0344 O.3 1 UNL1111111111 -0.3070 5 N 0.9208 3.0084 0.9176 N.1 1 UNL1111111111 -0.2916 6 C 1.6074 0.5541 0.3205 C.3 1 UNL1111111111 0.0760 7 C 2.2828 0.5681 -1.0746 C.3 1 UNL1111111111 -0.2756 8 C 2.6016 0.0617 1.3996 C.3 1 UNL1111111111 -0.2779 9 C 4.5600 0.8923 -0.0005 C.3 1 UNL1111111111 -0.1726 10 C 3.5732 1.3885 -1.0696 C.3 1 UNL1111111111 -0.2725 11 C 3.9045 0.8642 1.3873 C.3 1 UNL1111111111 -0.2693 12 C 0.4059 -0.3689 0.2663 C.ar 1 UNL1111111111 -0.0373 13 C -3.5802 1.0602 0.4504 C.3 1 UNL1111111111 0.1310 14 C -5.0977 1.0791 0.7178 C.3 1 UNL1111111111 -0.2922 15 C -3.3414 1.6624 -0.9423 C.3 1 UNL1111111111 -0.3197 16 C -5.7459 1.7778 -0.4878 C.3 1 UNL1111111111 -0.2618 17 C -4.7153 1.7030 -1.6278 C.3 1 UNL1111111111 -0.2519 18 C -0.8917 0.1260 0.4154 C.ar 1 UNL1111111111 -0.2567 19 C 5.0449 -0.4801 -0.3874 C.2 1 UNL1111111111 0.6437 20 C 1.2152 1.9210 0.6545 C.1 1 UNL1111111111 0.1191 21 C -1.9857 -0.7288 0.3210 C.ar 1 UNL1111111111 0.1437 22 C 0.6018 -1.7303 0.0344 C.ar 1 UNL1111111111 -0.1590 23 C -1.7859 -2.1050 0.0798 C.ar 1 UNL1111111111 0.1629 24 C -0.4848 -2.5950 -0.0556 C.ar 1 UNL1111111111 -0.1899 25 C -4.0941 -2.6954 -0.0267 C.3 1 UNL1111111111 -0.1936 26 H 1.5760 0.9633 -1.8294 H 1 UNL1111111111 0.1538 27 H 2.4975 -0.4766 -1.3834 H 1 UNL1111111111 0.1689 28 H 2.8256 -1.0151 1.2325 H 1 UNL1111111111 0.1818 29 H 2.1266 0.1121 2.3981 H 1 UNL1111111111 0.1535 30 H 5.4396 1.5911 0.0279 H 1 UNL1111111111 0.1739 31 H 4.0474 1.3584 -2.0710 H 1 UNL1111111111 0.1524 32 H 3.3448 2.4583 -0.8840 H 1 UNL1111111111 0.1571 33 H 3.7107 1.9063 1.7159 H 1 UNL1111111111 0.1539 34 H 4.6072 0.4426 2.1334 H 1 UNL1111111111 0.1495 35 H -2.9980 1.5567 1.2501 H 1 UNL1111111111 0.1262 36 H -5.3312 1.5907 1.6637 H 1 UNL1111111111 0.1431 37 H -5.4766 0.0448 0.8281 H 1 UNL1111111111 0.1570 38 H -2.6179 1.0639 -1.5220 H 1 UNL1111111111 0.1566 39 H -2.9096 2.6749 -0.8598 H 1 UNL1111111111 0.1496 40 H -5.9834 2.8284 -0.2478 H 1 UNL1111111111 0.1351 41 H -6.6980 1.3034 -0.7705 H 1 UNL1111111111 0.1337 42 H -4.8725 0.7928 -2.2327 H 1 UNL1111111111 0.1377 43 H -4.8050 2.5550 -2.3180 H 1 UNL1111111111 0.1329 44 H -1.0584 1.1842 0.6071 H 1 UNL1111111111 0.1717 45 H 1.6099 -2.1336 -0.0843 H 1 UNL1111111111 0.1699 46 H -0.3343 -3.6586 -0.2375 H 1 UNL1111111111 0.1733 47 H 6.5937 -1.2375 -1.3615 H 1 UNL1111111111 0.3544 48 H -4.3113 -1.9821 -0.8282 H 1 UNL1111111111 0.1413 49 H -4.3733 -2.2870 0.9506 H 1 UNL1111111111 0.1420 50 H -4.5993 -3.6530 -0.2085 H 1 UNL1111111111 0.1453 @BOND 1 1 13 1 2 1 21 1 3 2 19 1 4 2 47 1 5 3 19 2 6 4 23 1 7 4 25 1 8 5 20 3 9 6 7 1 10 6 8 1 11 6 12 1 12 6 20 1 13 7 10 1 14 7 26 1 15 7 27 1 16 8 11 1 17 8 28 1 18 8 29 1 19 9 10 1 20 9 11 1 21 9 19 1 22 9 30 1 23 10 31 1 24 10 32 1 25 11 33 1 26 11 34 1 27 12 18 ar 28 12 22 ar 29 13 14 1 30 13 15 1 31 13 35 1 32 14 16 1 33 14 36 1 34 14 37 1 35 15 17 1 36 15 38 1 37 15 39 1 38 16 17 1 39 16 40 1 40 16 41 1 41 17 42 1 42 17 43 1 43 18 21 ar 44 18 44 1 45 21 23 ar 46 22 24 ar 47 22 45 1 48 23 24 ar 49 24 46 1 50 25 48 1 51 25 49 1 52 25 50 1