@MOLECULE (2z)-4-[4-(4-chlorobenzyl)-1-(cyclohexylmethyl)-4-piperidinyl]-2-hydroxy-4-oxo-2-butenoic acid 59 61 0 0 0 SMALL GASTEIGER @ATOM 1 CL 5.4466 3.6968 -0.4303 Cl 1 UNL1111111111 -0.0938 2 C 4.0834 2.7845 0.0617 C.ar 1 UNL1111111111 0.0148 3 C 2.8397 3.4013 0.0736 C.ar 1 UNL1111111111 -0.1565 4 C 1.7350 2.6513 0.4706 C.ar 1 UNL1111111111 -0.1556 5 C 4.2683 1.4599 0.4344 C.ar 1 UNL1111111111 -0.1569 6 C 3.1539 0.7241 0.8299 C.ar 1 UNL1111111111 -0.1489 7 C 1.8848 1.3108 0.8371 C.ar 1 UNL1111111111 0.0109 8 C 0.6879 0.5052 1.2406 C.3 1 UNL1111111111 -0.3044 9 C 0.0187 -0.2068 0.0447 C.3 1 UNL1111111111 -0.0202 10 C -0.5334 0.7848 -0.9916 C.3 1 UNL1111111111 -0.2861 11 C -1.7338 1.5774 -0.4528 C.3 1 UNL1111111111 -0.1067 12 C 1.0544 -1.1015 -0.6541 C.2 1 UNL1111111111 0.4509 13 O 1.3235 -0.9342 -1.8170 O.2 1 UNL1111111111 -0.4060 14 C 1.6747 -2.1685 0.1528 C.2 1 UNL1111111111 -0.3644 15 C 2.6511 -2.9667 -0.3153 C.2 1 UNL1111111111 0.2240 16 O 3.1353 -2.7968 -1.5548 O.2 1 UNL1111111111 -0.3641 17 C 3.2248 -4.0427 0.5468 C.2 1 UNL1111111111 0.5732 18 O 4.0255 -4.8607 -0.1850 O.3 1 UNL1111111111 -0.5812 19 O 3.0481 -4.2250 1.7194 O.2 1 UNL1111111111 -0.4464 20 C -1.1433 -1.1000 0.5198 C.3 1 UNL1111111111 -0.2891 21 C -2.3339 -0.2653 1.0259 C.3 1 UNL1111111111 -0.1071 22 N -2.8067 0.6322 -0.0538 N.3 1 UNL1111111111 -0.4234 23 C -4.0260 1.3735 0.3541 C.3 1 UNL1111111111 -0.1450 24 C -5.2538 0.4327 0.3463 C.3 1 UNL1111111111 -0.1020 25 C -6.4989 1.2204 0.7921 C.3 1 UNL1111111111 -0.2838 26 C -7.7271 0.2998 0.7958 C.3 1 UNL1111111111 -0.2593 27 C -7.9507 -0.3096 -0.5951 C.3 1 UNL1111111111 -0.2635 28 C -6.7034 -1.0765 -1.0558 C.3 1 UNL1111111111 -0.2645 29 C -5.4769 -0.1571 -1.0552 C.3 1 UNL1111111111 -0.2691 30 H 2.7222 4.4438 -0.2199 H 1 UNL1111111111 0.1701 31 H 5.2556 0.9997 0.4168 H 1 UNL1111111111 0.1701 32 H 0.7497 3.1147 0.4899 H 1 UNL1111111111 0.1571 33 H 3.2748 -0.3171 1.1271 H 1 UNL1111111111 0.1607 34 H 0.9660 -0.2403 2.0144 H 1 UNL1111111111 0.1553 35 H -0.0626 1.1557 1.7379 H 1 UNL1111111111 0.1587 36 H 0.2614 1.4724 -1.3359 H 1 UNL1111111111 0.1544 37 H -0.8475 0.2253 -1.9006 H 1 UNL1111111111 0.1724 38 H -1.4872 -1.7295 -0.3287 H 1 UNL1111111111 0.1635 39 H -0.8198 -1.7949 1.3138 H 1 UNL1111111111 0.1366 40 H -1.4213 2.2480 0.3746 H 1 UNL1111111111 0.1062 41 H -2.1323 2.2263 -1.2648 H 1 UNL1111111111 0.1385 42 H 1.3023 -2.2977 1.1704 H 1 UNL1111111111 0.1919 43 H 3.8113 -3.4922 -1.7961 H 1 UNL1111111111 0.3364 44 H 4.4435 -5.5916 0.3365 H 1 UNL1111111111 0.3756 45 H -3.1685 -0.9532 1.2917 H 1 UNL1111111111 0.1378 46 H -2.0601 0.2809 1.9530 H 1 UNL1111111111 0.1099 47 H -3.9228 1.8492 1.3518 H 1 UNL1111111111 0.1115 48 H -4.1991 2.1941 -0.3765 H 1 UNL1111111111 0.1409 49 H -5.0834 -0.4035 1.0637 H 1 UNL1111111111 0.1318 50 H -6.3441 1.6489 1.7978 H 1 UNL1111111111 0.1279 51 H -6.6723 2.0750 0.1128 H 1 UNL1111111111 0.1385 52 H -5.6028 0.6522 -1.7958 H 1 UNL1111111111 0.1367 53 H -4.5712 -0.7128 -1.3708 H 1 UNL1111111111 0.1561 54 H -7.5921 -0.5049 1.5421 H 1 UNL1111111111 0.1338 55 H -8.6226 0.8644 1.1115 H 1 UNL1111111111 0.1279 56 H -8.8271 -0.9817 -0.5786 H 1 UNL1111111111 0.1263 57 H -8.1890 0.4890 -1.3220 H 1 UNL1111111111 0.1352 58 H -6.5255 -1.9429 -0.3928 H 1 UNL1111111111 0.1326 59 H -6.8641 -1.4920 -2.0668 H 1 UNL1111111111 0.1297 @BOND 1 1 2 1 2 2 3 ar 3 2 5 ar 4 3 4 ar 5 3 30 1 6 4 7 ar 7 4 32 1 8 5 6 ar 9 5 31 1 10 6 7 ar 11 6 33 1 12 7 8 1 13 8 9 1 14 8 34 1 15 8 35 1 16 9 10 1 17 9 12 1 18 9 20 1 19 10 11 1 20 10 36 1 21 10 37 1 22 11 22 1 23 11 40 1 24 11 41 1 25 12 13 2 26 12 14 1 27 14 15 2 28 14 42 1 29 15 16 1 30 15 17 1 31 16 43 1 32 17 18 1 33 17 19 2 34 18 44 1 35 20 21 1 36 20 38 1 37 20 39 1 38 21 22 1 39 21 45 1 40 21 46 1 41 22 23 1 42 23 24 1 43 23 47 1 44 23 48 1 45 24 25 1 46 24 29 1 47 24 49 1 48 25 26 1 49 25 50 1 50 25 51 1 51 26 27 1 52 26 54 1 53 26 55 1 54 27 28 1 55 27 56 1 56 27 57 1 57 28 29 1 58 28 58 1 59 28 59 1 60 29 52 1 61 29 53 1