@MOLECULE 2-(4,5-dichloro-2-isothiocyanatophenyl)-n-methyl-n-[2-(1-pyrrolidinyl)cyclohexyl]acetamide 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 CL 4.7015 2.4720 -0.4639 Cl 1 UNL1111111111 -0.0360 2 CL 5.7908 0.0492 1.1951 Cl 1 UNL1111111111 -0.0254 3 S -0.3858 -4.1773 0.5478 S.2 1 UNL1111111111 -0.1884 4 O -0.3381 -0.7629 0.4267 O.2 1 UNL1111111111 -0.5643 5 N -3.5156 1.7694 1.0403 N.3 1 UNL1111111111 -0.4312 6 N -1.8385 -0.1757 -1.1456 N.am 1 UNL1111111111 -0.5020 7 N 1.7041 -2.5483 -0.1779 N.2 1 UNL1111111111 -0.4196 8 C -3.8457 0.9121 -0.1340 C.3 1 UNL1111111111 0.0121 9 C -2.9620 -0.3722 -0.2032 C.3 1 UNL1111111111 0.0727 10 C -5.3323 0.4937 0.0195 C.3 1 UNL1111111111 -0.2774 11 C -3.7704 -1.6170 -0.6244 C.3 1 UNL1111111111 -0.2988 12 C -5.4662 -0.6707 1.0049 C.3 1 UNL1111111111 -0.2618 13 C -4.8137 -1.9456 0.4497 C.3 1 UNL1111111111 -0.2623 14 C -4.0452 3.1515 0.8512 C.3 1 UNL1111111111 -0.1119 15 C -2.0726 1.9913 1.3076 C.3 1 UNL1111111111 -0.1176 16 C -2.9154 4.0209 0.2424 C.3 1 UNL1111111111 -0.3024 17 C -1.6208 3.2291 0.4966 C.3 1 UNL1111111111 -0.2946 18 C -2.1402 0.0754 -2.5545 C.3 1 UNL1111111111 -0.2319 19 C -0.5579 -0.4465 -0.7304 C.2 1 UNL1111111111 0.5828 20 C 0.5798 -0.3393 -1.7342 C.3 1 UNL1111111111 -0.3540 21 C 1.8807 -0.2574 -1.0044 C.ar 1 UNL1111111111 -0.0173 22 C 2.3709 -1.3392 -0.2379 C.ar 1 UNL1111111111 0.2659 23 C 2.6242 0.9204 -1.0595 C.ar 1 UNL1111111111 -0.1385 24 C 3.5963 -1.2430 0.4443 C.ar 1 UNL1111111111 -0.1958 25 C 3.8315 1.0126 -0.3768 C.ar 1 UNL1111111111 -0.0352 26 C 4.3131 -0.0591 0.3630 C.ar 1 UNL1111111111 0.0074 27 C 0.7260 -3.1520 0.1944 C.1 1 UNL1111111111 0.3821 28 H -3.7284 1.4877 -1.0858 H 1 UNL1111111111 0.1150 29 H -2.5357 -0.5727 0.8253 H 1 UNL1111111111 0.1962 30 H -5.9344 1.3504 0.3770 H 1 UNL1111111111 0.1428 31 H -5.7477 0.2195 -0.9653 H 1 UNL1111111111 0.1297 32 H -3.0851 -2.4761 -0.7610 H 1 UNL1111111111 0.1533 33 H -4.2597 -1.4602 -1.6006 H 1 UNL1111111111 0.1335 34 H -4.9834 -0.3812 1.9627 H 1 UNL1111111111 0.1612 35 H -6.5283 -0.8529 1.2434 H 1 UNL1111111111 0.1311 36 H -5.5813 -2.6176 0.0256 H 1 UNL1111111111 0.1320 37 H -4.3390 -2.5109 1.2753 H 1 UNL1111111111 0.1451 38 H -4.9587 3.1715 0.2349 H 1 UNL1111111111 0.1250 39 H -4.3265 3.5224 1.8602 H 1 UNL1111111111 0.1460 40 H -1.9850 2.1858 2.4002 H 1 UNL1111111111 0.1484 41 H -1.4477 1.1054 1.1107 H 1 UNL1111111111 0.1581 42 H -2.8842 5.0146 0.7123 H 1 UNL1111111111 0.1393 43 H -3.0779 4.1877 -0.8322 H 1 UNL1111111111 0.1295 44 H -1.1431 2.9274 -0.4474 H 1 UNL1111111111 0.1307 45 H -0.8757 3.8182 1.0509 H 1 UNL1111111111 0.1423 46 H -1.6965 1.0322 -2.8848 H 1 UNL1111111111 0.1435 47 H -1.7680 -0.7404 -3.1997 H 1 UNL1111111111 0.1449 48 H -3.2300 0.1484 -2.7213 H 1 UNL1111111111 0.1566 49 H 0.4403 0.5383 -2.4012 H 1 UNL1111111111 0.1759 50 H 0.5629 -1.2278 -2.4064 H 1 UNL1111111111 0.1862 51 H 2.2518 1.7738 -1.6321 H 1 UNL1111111111 0.1798 52 H 3.9613 -2.0914 1.0290 H 1 UNL1111111111 0.1974 @BOND 1 1 25 1 2 2 26 1 3 3 27 2 4 4 19 2 5 5 8 1 6 5 14 1 7 5 15 1 8 6 9 1 9 6 18 1 10 6 19 am 11 7 22 1 12 7 27 2 13 8 9 1 14 8 10 1 15 8 28 1 16 9 11 1 17 9 29 1 18 10 12 1 19 10 30 1 20 10 31 1 21 11 13 1 22 11 32 1 23 11 33 1 24 12 13 1 25 12 34 1 26 12 35 1 27 13 36 1 28 13 37 1 29 14 16 1 30 14 38 1 31 14 39 1 32 15 17 1 33 15 40 1 34 15 41 1 35 16 17 1 36 16 42 1 37 16 43 1 38 17 44 1 39 17 45 1 40 18 46 1 41 18 47 1 42 18 48 1 43 19 20 1 44 20 21 1 45 20 49 1 46 20 50 1 47 21 22 ar 48 21 23 ar 49 22 24 ar 50 23 25 ar 51 23 51 1 52 24 26 ar 53 24 52 1 54 25 26 ar