@MOLECULE 2-(dimethylamino)ethyl (1z)-2-phenyl-n-(sulfooxy)ethanimidothioate 38 38 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9097 -3.5281 -0.2953 O.2 1 UNL1111111111111 -0.8224 2 S -2.7197 -2.1836 0.1481 S.O2 1 UNL1111111111111 2.5008 3 O -3.4110 -1.1637 -0.9264 O.3 1 UNL1111111111111 -0.7994 4 O -3.0514 -1.7552 1.4690 O.2 1 UNL1111111111111 -0.8606 5 O -1.0631 -1.8713 -0.1243 O.2 1 UNL1111111111111 -0.4622 6 N -0.9589 -0.5005 -0.1501 N.2 1 UNL1111111111111 -0.2169 7 C 0.2428 -0.0319 -0.1347 C.2 1 UNL1111111111111 0.0891 8 S 1.6883 -1.0823 -0.0467 S.3 1 UNL1111111111111 0.0623 9 C 3.0962 0.0870 -0.0558 C.3 1 UNL1111111111111 -0.3558 10 C 4.4036 -0.7175 0.0509 C.3 1 UNL1111111111111 -0.1063 11 N 5.5095 0.2587 -0.1352 N.3 1 UNL1111111111111 -0.3907 12 C 5.9157 0.8610 1.1519 C.3 1 UNL1111111111111 -0.2821 13 C 6.6691 -0.3693 -0.8016 C.3 1 UNL1111111111111 -0.2818 14 C 0.4055 1.4623 -0.2068 C.3 1 UNL1111111111111 -0.2950 15 C -0.9073 2.1904 -0.1118 C.ar 1 UNL1111111111111 0.0136 16 C -1.4459 2.4900 1.1409 C.ar 1 UNL1111111111111 -0.1567 17 C -2.6609 3.1649 1.2298 C.ar 1 UNL1111111111111 -0.1326 18 C -3.3399 3.5396 0.0713 C.ar 1 UNL1111111111111 -0.1546 19 C -2.8039 3.2345 -1.1784 C.ar 1 UNL1111111111111 -0.1420 20 C -1.5886 2.5598 -1.2723 C.ar 1 UNL1111111111111 -0.1707 21 H -3.1781 -0.2184 -0.8293 H 1 UNL1111111111111 0.4017 22 H 1.0794 1.8192 0.6072 H 1 UNL1111111111111 0.1720 23 H 0.9220 1.7355 -1.1582 H 1 UNL1111111111111 0.1748 24 H 3.1134 0.6867 -0.9878 H 1 UNL1111111111111 0.1772 25 H 3.0230 0.8060 0.7792 H 1 UNL1111111111111 0.1600 26 H 4.4667 -1.2604 1.0186 H 1 UNL1111111111111 0.1306 27 H 4.4520 -1.4898 -0.7498 H 1 UNL1111111111111 0.1482 28 H 6.3676 0.1562 1.8656 H 1 UNL1111111111111 0.1220 29 H 6.6438 1.6657 0.9511 H 1 UNL1111111111111 0.1488 30 H 5.0404 1.3292 1.6304 H 1 UNL1111111111111 0.1436 31 H 6.3621 -0.7217 -1.8010 H 1 UNL1111111111111 0.1485 32 H 7.4492 0.3950 -0.9578 H 1 UNL1111111111111 0.1493 33 H 7.1139 -1.2112 -0.2514 H 1 UNL1111111111111 0.1221 34 H -0.9273 2.1840 2.0477 H 1 UNL1111111111111 0.1566 35 H -1.1770 2.3183 -2.2502 H 1 UNL1111111111111 0.1538 36 H -3.0834 3.3934 2.2070 H 1 UNL1111111111111 0.1527 37 H -4.2891 4.0666 0.1431 H 1 UNL1111111111111 0.1514 38 H -3.3353 3.5226 -2.0837 H 1 UNL1111111111111 0.1506 @BOND 1 1 2 2 2 2 3 1 3 2 4 2 4 2 5 1 5 3 21 1 6 5 6 1 7 6 7 2 8 7 8 1 9 7 14 1 10 8 9 1 11 9 10 1 12 9 24 1 13 9 25 1 14 10 11 1 15 10 26 1 16 10 27 1 17 11 12 1 18 11 13 1 19 12 28 1 20 12 29 1 21 12 30 1 22 13 31 1 23 13 32 1 24 13 33 1 25 14 15 1 26 14 22 1 27 14 23 1 28 15 16 ar 29 15 20 ar 30 16 17 ar 31 16 34 1 32 17 18 ar 33 17 36 1 34 18 19 ar 35 18 37 1 36 19 20 ar 37 19 38 1 38 20 35 1