@MOLECULE 2-(diethylamino)ethyl (ethylsulfanyl)(diphenyl)acetate 55 56 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.2864 1.4285 1.3888 S.3 1 UNL1111111111 -0.0054 2 O 0.7016 -0.9884 0.5426 O.3 1 UNL1111111111 -0.4183 3 O -0.6744 -1.0285 2.3121 O.2 1 UNL1111111111 -0.4991 4 N 3.8575 -1.0279 0.6110 N.3 1 UNL1111111111 -0.4382 5 C -1.1979 0.3480 0.3386 C.3 1 UNL1111111111 -0.1121 6 C -0.2012 1.2417 -0.3588 C.ar 1 UNL1111111111 -0.0053 7 C -2.1013 -0.4075 -0.5925 C.ar 1 UNL1111111111 -0.0157 8 C 2.7883 -1.9773 0.2259 C.3 1 UNL1111111111 -0.1305 9 C -0.4030 -0.6101 1.2172 C.2 1 UNL1111111111 0.5924 10 C 1.6265 -1.8507 1.2237 C.3 1 UNL1111111111 -0.0229 11 C 3.5167 0.3664 0.2406 C.3 1 UNL1111111111 -0.0994 12 C 5.1752 -1.4478 0.0938 C.3 1 UNL1111111111 -0.0875 13 C 0.1668 0.9728 -1.6814 C.ar 1 UNL1111111111 -0.1399 14 C -2.8000 0.2901 -1.5866 C.ar 1 UNL1111111111 -0.1410 15 C 0.4240 2.2904 0.3221 C.ar 1 UNL1111111111 -0.1432 16 C -2.2833 -1.7865 -0.4696 C.ar 1 UNL1111111111 -0.1614 17 C -3.4336 0.2828 2.2473 C.3 1 UNL1111111111 -0.2839 18 C 4.2815 1.3382 1.1487 C.3 1 UNL1111111111 -0.4454 19 C 5.2929 -1.5776 -1.4323 C.3 1 UNL1111111111 -0.4871 20 C 1.1140 1.7639 -2.3253 C.ar 1 UNL1111111111 -0.1494 21 C -3.6709 -0.3833 -2.4350 C.ar 1 UNL1111111111 -0.1472 22 C 1.3653 3.0865 -0.3283 C.ar 1 UNL1111111111 -0.1473 23 C -3.1577 -2.4583 -1.3226 C.ar 1 UNL1111111111 -0.1439 24 C 1.7098 2.8289 -1.6528 C.ar 1 UNL1111111111 -0.1456 25 C -3.8541 -1.7597 -2.3042 C.ar 1 UNL1111111111 -0.1479 26 C -4.7145 0.0439 1.4707 C.3 1 UNL1111111111 -0.4447 27 H 3.1891 -3.0135 0.2651 H 1 UNL1111111111 0.1440 28 H 2.4111 -1.8157 -0.8099 H 1 UNL1111111111 0.1414 29 H 1.9304 -1.3799 2.1767 H 1 UNL1111111111 0.1613 30 H 1.1236 -2.8103 1.4210 H 1 UNL1111111111 0.1336 31 H 3.7213 0.5920 -0.8267 H 1 UNL1111111111 0.1137 32 H 2.4210 0.5237 0.3822 H 1 UNL1111111111 0.1586 33 H 5.9282 -0.7179 0.4679 H 1 UNL1111111111 0.1399 34 H 5.4264 -2.4192 0.5765 H 1 UNL1111111111 0.1345 35 H -0.2752 0.1299 -2.2146 H 1 UNL1111111111 0.1641 36 H -2.6632 1.3685 -1.6960 H 1 UNL1111111111 0.1688 37 H 0.2013 2.4977 1.3701 H 1 UNL1111111111 0.1701 38 H -1.7511 -2.3591 0.2908 H 1 UNL1111111111 0.1623 39 H -2.9223 -0.6742 2.4776 H 1 UNL1111111111 0.1793 40 H -3.6448 0.7552 3.2279 H 1 UNL1111111111 0.1639 41 H 3.8818 2.3524 1.0518 H 1 UNL1111111111 0.1395 42 H 5.3480 1.3688 0.9085 H 1 UNL1111111111 0.1382 43 H 4.1903 1.0348 2.2001 H 1 UNL1111111111 0.1600 44 H 6.3084 -1.8665 -1.7216 H 1 UNL1111111111 0.1467 45 H 5.0656 -0.6309 -1.9348 H 1 UNL1111111111 0.1493 46 H 4.6083 -2.3336 -1.8289 H 1 UNL1111111111 0.1462 47 H 1.3890 1.5466 -3.3553 H 1 UNL1111111111 0.1502 48 H -4.2114 0.1663 -3.2029 H 1 UNL1111111111 0.1508 49 H 1.8341 3.9107 0.2059 H 1 UNL1111111111 0.1490 50 H -3.2932 -3.5335 -1.2179 H 1 UNL1111111111 0.1520 51 H 2.4439 3.4518 -2.1582 H 1 UNL1111111111 0.1464 52 H -4.5376 -2.2839 -2.9681 H 1 UNL1111111111 0.1486 53 H -5.3968 -0.6074 2.0333 H 1 UNL1111111111 0.1461 54 H -4.5321 -0.4498 0.5049 H 1 UNL1111111111 0.1594 55 H -5.2586 0.9732 1.2588 H 1 UNL1111111111 0.1522 @BOND 1 1 5 1 2 1 17 1 3 2 9 1 4 2 10 1 5 3 9 2 6 4 8 1 7 4 11 1 8 4 12 1 9 5 6 1 10 5 7 1 11 5 9 1 12 6 13 ar 13 6 15 ar 14 7 14 ar 15 7 16 ar 16 8 10 1 17 8 27 1 18 8 28 1 19 10 29 1 20 10 30 1 21 11 18 1 22 11 31 1 23 11 32 1 24 12 19 1 25 12 33 1 26 12 34 1 27 13 20 ar 28 13 35 1 29 14 21 ar 30 14 36 1 31 15 22 ar 32 15 37 1 33 16 23 ar 34 16 38 1 35 17 26 1 36 17 39 1 37 17 40 1 38 18 41 1 39 18 42 1 40 18 43 1 41 19 44 1 42 19 45 1 43 19 46 1 44 20 24 ar 45 20 47 1 46 21 25 ar 47 21 48 1 48 22 24 ar 49 22 49 1 50 23 25 ar 51 23 50 1 52 24 51 1 53 25 52 1 54 26 53 1 55 26 54 1 56 26 55 1