@MOLECULE 3,3-diphenyl-n-(2-sulfanylethyl)propanamide 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.9099 -0.9876 -0.2201 C.ar 1 UNL11111 -0.0097 2 C -1.2490 -1.5584 1.0084 C.ar 1 UNL11111 -0.1736 3 C -0.9870 -2.9045 1.2489 C.ar 1 UNL11111 -0.1402 4 C -1.1614 0.4764 -0.4853 C.3 1 UNL11111 -0.1224 5 C -2.6089 0.7919 -0.2024 C.ar 1 UNL11111 0.0070 6 C -4.3902 1.5660 1.2364 C.ar 1 UNL11111 -0.1356 7 C -3.5499 0.5125 -1.1989 C.ar 1 UNL11111 -0.1661 8 C 1.2265 1.1570 -0.1737 C.2 1 UNL11111 0.5909 9 C -0.0515 -3.1202 -0.9643 C.ar 1 UNL11111 -0.1376 10 C -0.3166 -1.7746 -1.2091 C.ar 1 UNL11111 -0.1648 11 C -0.1880 1.3410 0.3365 C.3 1 UNL11111 -0.3631 12 N 1.9448 0.1166 0.3819 N.am 1 UNL11111 -0.6151 13 C 3.3190 -0.1323 -0.0688 C.3 1 UNL11111 -0.0479 14 C 4.2705 0.8514 0.6278 C.3 1 UNL11111 -0.3391 15 S 6.0008 0.6186 0.0861 S.3 1 UNL11111 -0.1927 16 O 1.7324 1.8841 -1.0043 O.2 1 UNL11111 -0.5396 17 C -4.9018 0.7558 -0.9753 C.ar 1 UNL11111 -0.1322 18 C -5.3252 1.2837 0.2441 C.ar 1 UNL11111 -0.1605 19 C -3.0356 1.3200 1.0161 C.ar 1 UNL11111 -0.1735 20 C -0.3840 -3.6864 0.2647 C.ar 1 UNL11111 -0.1565 21 H -1.7346 -0.9544 1.7736 H 1 UNL11111 0.1576 22 H -1.2589 -3.3472 2.2053 H 1 UNL11111 0.1504 23 H -0.9626 0.7029 -1.5723 H 1 UNL11111 0.1730 24 H -4.7163 1.9800 2.1885 H 1 UNL11111 0.1464 25 H -3.2266 0.0957 -2.1513 H 1 UNL11111 0.1552 26 H 0.4150 -3.7298 -1.7362 H 1 UNL11111 0.1505 27 H -0.0531 -1.3389 -2.1720 H 1 UNL11111 0.1580 28 H -0.4619 2.4149 0.2277 H 1 UNL11111 0.1888 29 H -0.2594 1.1123 1.4158 H 1 UNL11111 0.1631 30 H 1.5302 -0.5395 1.0203 H 1 UNL11111 0.3177 31 H 3.5883 -1.1885 0.1551 H 1 UNL11111 0.1433 32 H 3.3675 -0.0076 -1.1791 H 1 UNL11111 0.1589 33 H 3.9390 1.8933 0.4401 H 1 UNL11111 0.1806 34 H 4.2480 0.7142 1.7251 H 1 UNL11111 0.1678 35 H 5.9253 1.1315 -1.1495 H 1 UNL11111 0.1621 36 H -5.6298 0.5335 -1.7534 H 1 UNL11111 0.1496 37 H -6.3814 1.4738 0.4184 H 1 UNL11111 0.1491 38 H -2.3220 1.5449 1.8052 H 1 UNL11111 0.1507 39 H -0.1787 -4.7375 0.4543 H 1 UNL11111 0.1496 @BOND 1 1 2 ar 2 1 4 1 3 1 10 ar 4 2 3 ar 5 2 21 1 6 3 20 ar 7 3 22 1 8 4 5 1 9 4 11 1 10 4 23 1 11 5 7 ar 12 5 19 ar 13 6 18 ar 14 6 19 ar 15 6 24 1 16 7 17 ar 17 7 25 1 18 8 11 1 19 8 12 am 20 8 16 2 21 9 10 ar 22 9 20 ar 23 9 26 1 24 10 27 1 25 11 28 1 26 11 29 1 27 12 13 1 28 12 30 1 29 13 14 1 30 13 31 1 31 13 32 1 32 14 15 1 33 14 33 1 34 14 34 1 35 15 35 1 36 17 18 ar 37 17 36 1 38 18 37 1 39 19 38 1 40 20 39 1