@MOLECULE (3s)-1-{[4-(2-butyn-1-yloxy)phenyl]sulfonyl}-3-pyrrolidinethiol 37 38 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.0729 -0.0318 -1.3874 C.ar 1 UNL1111111111 -0.2815 2 C 0.7247 0.2832 -1.4079 C.ar 1 UNL1111111111 0.0072 3 C 0.9260 1.3709 0.7466 C.ar 1 UNL1111111111 0.0178 4 C 2.2855 1.0691 0.7881 C.ar 1 UNL1111111111 -0.3398 5 C 2.8435 0.3511 -0.2726 C.ar 1 UNL1111111111 0.3008 6 O 4.1295 -0.0475 -0.3694 O.3 1 UNL1111111111 -0.3223 7 C 5.0003 0.2203 0.7495 C.3 1 UNL1111111111 0.0013 8 C 8.2995 -2.0567 0.0290 C.3 1 UNL1111111111 -0.4109 9 C 7.1455 -1.2538 0.2760 C.1 1 UNL1111111111 0.0066 10 C 6.1702 -0.5691 0.4977 C.1 1 UNL1111111111 -0.1772 11 C 0.1440 0.9678 -0.3334 C.ar 1 UNL1111111111 -0.4498 12 O -1.8316 2.3897 0.5825 O.2 1 UNL1111111111 -0.9207 13 O -2.0427 1.3381 -1.7055 O.2 1 UNL1111111111 -0.9187 14 S -1.5699 1.3033 -0.3379 S.O2 1 UNL1111111111 2.3268 15 C -2.9551 -0.0079 1.6731 C.3 1 UNL1111111111 -0.0754 16 N -2.2384 -0.1538 0.3870 N.3 1 UNL1111111111 -0.7273 17 C -3.1016 -1.0003 -0.4657 C.3 1 UNL1111111111 -0.0813 18 C -4.5654 -0.7187 -0.0381 C.3 1 UNL1111111111 -0.1594 19 S -5.5452 -2.2762 -0.1181 S.3 1 UNL1111111111 -0.2283 20 C -4.4717 -0.1367 1.3803 C.3 1 UNL1111111111 -0.3165 21 H 2.5452 -0.5693 -2.2055 H 1 UNL1111111111 0.1748 22 H 0.1215 -0.0061 -2.2778 H 1 UNL1111111111 0.1711 23 H 0.4859 1.9368 1.5778 H 1 UNL1111111111 0.1683 24 H 2.8825 1.3941 1.6311 H 1 UNL1111111111 0.1618 25 H 5.2107 1.3125 0.7579 H 1 UNL1111111111 0.1513 26 H 4.4978 -0.0755 1.6971 H 1 UNL1111111111 0.1479 27 H 8.9180 -2.1842 0.9374 H 1 UNL1111111111 0.1728 28 H 8.0272 -3.0721 -0.3186 H 1 UNL1111111111 0.1757 29 H 8.9540 -1.6172 -0.7475 H 1 UNL1111111111 0.1739 30 H -2.6145 -0.8354 2.3355 H 1 UNL1111111111 0.1418 31 H -2.7169 0.9421 2.1945 H 1 UNL1111111111 0.1602 32 H -2.9505 -0.8158 -1.5515 H 1 UNL1111111111 0.1664 33 H -2.8004 -2.0577 -0.2776 H 1 UNL1111111111 0.1557 34 H -5.0207 0.0228 -0.7305 H 1 UNL1111111111 0.1576 35 H -6.7481 -1.7737 -0.4225 H 1 UNL1111111111 0.1637 36 H -4.9611 -0.7609 2.1454 H 1 UNL1111111111 0.1555 37 H -4.9661 0.8491 1.4360 H 1 UNL1111111111 0.1503 @BOND 1 1 2 ar 2 1 5 ar 3 1 21 1 4 2 11 ar 5 2 22 1 6 3 11 ar 7 3 4 ar 8 3 23 1 9 4 5 ar 10 4 24 1 11 5 6 1 12 6 7 1 13 7 10 1 14 7 25 1 15 7 26 1 16 8 9 1 17 8 27 1 18 8 28 1 19 8 29 1 20 9 10 3 21 11 14 1 22 12 14 2 23 13 14 2 24 14 16 1 25 15 16 1 26 15 20 1 27 15 30 1 28 15 31 1 29 16 17 1 30 17 18 1 31 17 32 1 32 17 33 1 33 18 20 1 34 18 19 1 35 18 34 1 36 19 35 1 37 20 36 1 38 20 37 1