@MOLECULE 1-[(4-methylphenyl)sulfonyl]-n-(2-sulfanylethyl)-d-prolinamide 41 42 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.7589 0.9990 5.8739 S.3 1 UNL11 -0.1849 2 C 1.1055 -0.1453 4.5989 C.3 1 UNL11 -0.3381 3 C 0.0075 0.5527 3.7819 C.3 1 UNL11 -0.0590 4 N -0.1366 -0.1877 2.5206 N.am 1 UNL11 -0.5892 5 C -1.3794 -0.4516 1.9942 C.2 1 UNL11 0.5261 6 C -1.3618 -1.1751 0.6189 C.3 1 UNL11 0.0339 7 N -1.4069 -0.2605 -0.5281 N.3 1 UNL11 -0.7805 8 S -0.1539 0.8928 -0.8807 S.O2 1 UNL11 2.3721 9 C 0.7038 0.2218 -2.2536 C.ar 1 UNL11 -0.4013 10 C 0.1905 0.3398 -3.5439 C.ar 1 UNL11 -0.0405 11 C 0.9141 -0.1534 -4.6260 C.ar 1 UNL11 -0.2247 12 C 2.1602 -0.7541 -4.4238 C.ar 1 UNL11 0.1042 13 C 2.6711 -0.8730 -3.1284 C.ar 1 UNL11 -0.2258 14 C 1.9433 -0.3855 -2.0476 C.ar 1 UNL11 -0.0417 15 C 2.9613 -1.2342 -5.5833 C.3 1 UNL11 -0.4762 16 O 0.7746 0.8523 0.2365 O.2 1 UNL11 -0.9659 17 O -0.8131 2.1093 -1.2816 O.2 1 UNL11 -0.8880 18 C -2.8263 0.1088 -0.7477 C.3 1 UNL11 -0.0443 19 C -3.6166 -1.1706 -0.3871 C.3 1 UNL11 -0.2713 20 C -2.6604 -2.0132 0.4798 C.3 1 UNL11 -0.2665 21 O -2.4018 -0.2256 2.6067 O.2 1 UNL11 -0.5441 22 H 1.9274 0.1371 6.8804 H 1 UNL11 0.1555 23 H 0.7096 -1.0699 5.0505 H 1 UNL11 0.1600 24 H 1.9427 -0.4529 3.9430 H 1 UNL11 0.1640 25 H 0.2619 1.6157 3.5604 H 1 UNL11 0.1526 26 H -0.9611 0.5707 4.3343 H 1 UNL11 0.1714 27 H 0.6768 -0.1410 1.8996 H 1 UNL11 0.3448 28 H -0.4532 -1.8214 0.5448 H 1 UNL11 0.1493 29 H -0.7728 0.8263 -3.7255 H 1 UNL11 0.1643 30 H 0.5135 -0.0616 -5.6326 H 1 UNL11 0.1566 31 H 3.6404 -1.3377 -2.9674 H 1 UNL11 0.1560 32 H 2.3661 -0.4730 -1.0389 H 1 UNL11 0.1752 33 H 3.5479 -0.4056 -6.0153 H 1 UNL11 0.1713 34 H 3.6752 -2.0243 -5.3106 H 1 UNL11 0.1620 35 H 2.3361 -1.6389 -6.3910 H 1 UNL11 0.1629 36 H -3.1398 0.9580 -0.1008 H 1 UNL11 0.1426 37 H -2.9775 0.4151 -1.8008 H 1 UNL11 0.1375 38 H -4.5363 -0.9206 0.1639 H 1 UNL11 0.1451 39 H -3.9267 -1.7188 -1.2917 H 1 UNL11 0.1351 40 H -3.1083 -2.2238 1.4649 H 1 UNL11 0.1618 41 H -2.4442 -2.9818 -0.0002 H 1 UNL11 0.1378 @BOND 1 1 2 1 2 1 22 1 3 2 3 1 4 2 23 1 5 2 24 1 6 3 4 1 7 3 25 1 8 3 26 1 9 4 5 am 10 4 27 1 11 5 6 1 12 5 21 2 13 6 7 1 14 6 20 1 15 6 28 1 16 7 8 1 17 7 18 1 18 8 9 1 19 8 16 2 20 8 17 2 21 9 10 ar 22 9 14 ar 23 10 11 ar 24 10 29 1 25 11 12 ar 26 11 30 1 27 12 13 ar 28 12 15 1 29 13 14 ar 30 13 31 1 31 14 32 1 32 15 33 1 33 15 34 1 34 15 35 1 35 18 19 1 36 18 36 1 37 18 37 1 38 19 20 1 39 19 38 1 40 19 39 1 41 20 40 1 42 20 41 1