@MOLECULE cyclopentyl (3-{2-methoxy-4-[(phenylsulfonyl)carbamoyl]benzyl}-1-benzothiophen-5-yl)carbamate 67 71 0 0 0 SMALL GASTEIGER @ATOM 1 S -6.1571 0.4701 1.1790 S.2 1 UNL1111111111 0.1627 2 S 3.1635 0.8465 1.6157 S.O2 1 UNL1111111111 2.3829 3 O 0.4102 -3.8999 -0.3394 O.3 1 UNL1111111111 -0.4657 4 O -0.4303 -2.0112 -1.2941 O.2 1 UNL1111111111 -0.5528 5 O -3.4535 3.1019 -0.5386 O.3 1 UNL1111111111 -0.3025 6 O 2.0116 3.0146 -0.1700 O.2 1 UNL1111111111 -0.5274 7 O 2.9922 1.7437 2.7235 O.2 1 UNL1111111111 -0.8669 8 O 3.3026 -0.5793 1.8298 O.2 1 UNL1111111111 -0.9239 9 N -1.5246 -3.1383 0.4305 N.am 1 UNL1111111111 -0.5548 10 N 1.7215 0.9090 0.6119 N.am 1 UNL1111111111 -0.8901 11 C 1.6223 -3.7420 -1.1092 C.3 1 UNL1111111111 0.1654 12 C 2.4627 -2.5945 -0.5380 C.3 1 UNL1111111111 -0.3056 13 C 2.3739 -5.0574 -0.8541 C.3 1 UNL1111111111 -0.3081 14 C 3.8382 -3.1916 -0.2069 C.3 1 UNL1111111111 -0.2593 15 C 3.6015 -4.6979 -0.0021 C.3 1 UNL1111111111 -0.2665 16 C -0.5121 -2.9090 -0.4868 C.2 1 UNL1111111111 0.7327 17 C -2.6678 -2.3191 0.5747 C.ar 1 UNL1111111111 0.2202 18 C -4.1315 -0.5471 -0.1086 C.ar 1 UNL1111111111 0.0096 19 C -4.6256 0.5646 -0.9123 C.ar 1 UNL1111111111 -0.0094 20 C -3.9471 1.0077 -2.1683 C.3 1 UNL1111111111 -0.2556 21 C -3.0408 -1.3750 -0.3783 C.ar 1 UNL1111111111 -0.2152 22 C -4.8640 -0.7135 1.0838 C.ar 1 UNL1111111111 -0.1715 23 C -2.5434 1.3994 -1.8179 C.ar 1 UNL1111111111 -0.0649 24 C -3.4198 -2.4937 1.7620 C.ar 1 UNL1111111111 -0.2360 25 C -4.5231 -1.6944 2.0108 C.ar 1 UNL1111111111 -0.0848 26 C -5.6973 1.1828 -0.3587 C.ar 1 UNL1111111111 -0.2623 27 C -2.3237 2.4236 -0.8701 C.ar 1 UNL1111111111 0.2123 28 C -1.4474 0.7056 -2.3140 C.ar 1 UNL1111111111 -0.1113 29 C -0.0007 1.8703 -0.7889 C.ar 1 UNL1111111111 -0.0794 30 C -1.0594 2.6607 -0.3418 C.ar 1 UNL1111111111 -0.2539 31 C -0.1695 0.9275 -1.7945 C.ar 1 UNL1111111111 -0.1510 32 C 1.3162 2.0246 -0.1172 C.2 1 UNL1111111111 0.6261 33 C 4.4516 1.4013 0.5757 C.ar 1 UNL1111111111 -0.4039 34 C -3.3543 4.0316 0.5326 C.3 1 UNL1111111111 -0.2070 35 C 4.6968 2.7658 0.4295 C.ar 1 UNL1111111111 -0.0181 36 C 5.2337 0.4695 -0.1084 C.ar 1 UNL1111111111 -0.0614 37 C 5.7281 3.1985 -0.4053 C.ar 1 UNL1111111111 -0.1900 38 C 6.2620 0.9039 -0.9403 C.ar 1 UNL1111111111 -0.1963 39 C 6.5075 2.2696 -1.0897 C.ar 1 UNL1111111111 -0.0891 40 H 1.3281 -3.5945 -2.1660 H 1 UNL1111111111 0.1321 41 H 2.5317 -1.7486 -1.2385 H 1 UNL1111111111 0.1455 42 H 1.9970 -2.1963 0.3877 H 1 UNL1111111111 0.1767 43 H 2.6685 -5.5262 -1.8068 H 1 UNL1111111111 0.1442 44 H 1.7236 -5.7880 -0.3376 H 1 UNL1111111111 0.1614 45 H 4.5561 -3.0147 -1.0230 H 1 UNL1111111111 0.1236 46 H 4.2601 -2.7225 0.7019 H 1 UNL1111111111 0.1625 47 H 4.4836 -5.2929 -0.2809 H 1 UNL1111111111 0.1307 48 H 3.4061 -4.9098 1.0646 H 1 UNL1111111111 0.1427 49 H -1.4208 -3.9202 1.0741 H 1 UNL1111111111 0.3310 50 H -3.9710 0.1968 -2.9285 H 1 UNL1111111111 0.1644 51 H -4.4841 1.8657 -2.6315 H 1 UNL1111111111 0.1681 52 H -2.4870 -1.2659 -1.3122 H 1 UNL1111111111 0.2025 53 H -3.1256 -3.2503 2.4859 H 1 UNL1111111111 0.1631 54 H -5.1020 -1.8286 2.9246 H 1 UNL1111111111 0.1607 55 H -6.2300 2.0327 -0.7494 H 1 UNL1111111111 0.1789 56 H -1.5821 -0.0594 -3.0817 H 1 UNL1111111111 0.1670 57 H -0.8857 3.4276 0.4083 H 1 UNL1111111111 0.1760 58 H 0.6677 0.3313 -2.1545 H 1 UNL1111111111 0.1700 59 H 1.1002 0.0965 0.6344 H 1 UNL1111111111 0.3403 60 H -2.6950 4.8636 0.2666 H 1 UNL1111111111 0.1365 61 H -4.3914 4.3787 0.6332 H 1 UNL1111111111 0.1517 62 H -3.0307 3.5386 1.4552 H 1 UNL1111111111 0.1396 63 H 4.0823 3.5121 0.9517 H 1 UNL1111111111 0.1837 64 H 5.0531 -0.6064 0.0014 H 1 UNL1111111111 0.1698 65 H 5.9148 4.2638 -0.5253 H 1 UNL1111111111 0.1558 66 H 6.8719 0.1811 -1.4764 H 1 UNL1111111111 0.1503 67 H 7.3094 2.6082 -1.7441 H 1 UNL1111111111 0.1440 @BOND 1 1 22 ar 2 1 26 ar 3 2 7 2 4 2 8 2 5 2 10 1 6 2 33 1 7 3 11 1 8 3 16 1 9 4 16 2 10 5 27 1 11 5 34 1 12 6 32 2 13 9 16 am 14 9 17 1 15 9 49 1 16 10 32 am 17 10 59 1 18 11 12 1 19 11 13 1 20 11 40 1 21 12 14 1 22 12 41 1 23 12 42 1 24 13 15 1 25 13 43 1 26 13 44 1 27 14 15 1 28 14 45 1 29 14 46 1 30 15 47 1 31 15 48 1 32 17 21 ar 33 17 24 ar 34 18 19 ar 35 18 21 ar 36 18 22 ar 37 19 20 1 38 19 26 ar 39 20 23 1 40 20 50 1 41 20 51 1 42 21 52 1 43 22 25 ar 44 23 27 ar 45 23 28 ar 46 24 25 ar 47 24 53 1 48 25 54 1 49 26 55 1 50 27 30 ar 51 28 31 ar 52 28 56 1 53 29 30 ar 54 29 31 ar 55 29 32 1 56 30 57 1 57 31 58 1 58 33 35 ar 59 33 36 ar 60 34 60 1 61 34 61 1 62 34 62 1 63 35 37 ar 64 35 63 1 65 36 38 ar 66 36 64 1 67 37 39 ar 68 37 65 1 69 38 39 ar 70 38 66 1 71 39 67 1