@MOLECULE s,s'-{1,2-ethanediylbis[imino(2-oxo-2,1-ethanediyl)]} dibenzenecarbothioate 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.1828 1.8459 0.2346 S.3 1 UNL111111111 -0.0035 2 S 0.8980 -2.4477 1.2999 S.3 1 UNL111111111 0.0139 3 O 2.7181 3.4955 -0.4591 O.2 1 UNL111111111 -0.5089 4 O 2.7707 -0.0558 2.4138 O.2 1 UNL111111111 -0.4998 5 O -2.1123 2.2021 -1.5259 O.2 1 UNL111111111 -0.4335 6 O 1.8951 -1.8879 -1.0634 O.2 1 UNL111111111 -0.4878 7 N 2.8872 1.3720 -1.2425 N.am 1 UNL111111111 -0.5956 8 N 4.0759 -0.6056 0.6458 N.am 1 UNL111111111 -0.5899 9 C 4.3131 1.3074 -0.9161 C.3 1 UNL111111111 -0.0953 10 C 4.5472 0.7775 0.5151 C.3 1 UNL111111111 -0.1126 11 C 2.1719 2.5076 -0.9019 C.2 1 UNL111111111 0.5907 12 C 3.1233 -0.8889 1.6078 C.2 1 UNL111111111 0.5778 13 C 0.7000 2.4743 -1.2317 C.3 1 UNL111111111 -0.4249 14 C 2.6729 -2.3335 1.6614 C.3 1 UNL111111111 -0.4319 15 C -2.8958 1.3431 0.5365 C.ar 1 UNL111111111 -0.1573 16 C -0.4562 -2.1985 -1.1078 C.ar 1 UNL111111111 -0.1577 17 C -1.8757 1.8178 -0.4119 C.2 1 UNL111111111 0.4185 18 C 0.8699 -2.1376 -0.4789 C.2 1 UNL111111111 0.4320 19 C -4.1674 1.9172 0.4367 C.ar 1 UNL111111111 -0.0864 20 C -0.6611 -1.4022 -2.2391 C.ar 1 UNL111111111 -0.0721 21 C -2.6391 0.3623 1.4953 C.ar 1 UNL111111111 -0.0806 22 C -1.4892 -3.0057 -0.6244 C.ar 1 UNL111111111 -0.0879 23 C -5.1806 1.5127 1.3008 C.ar 1 UNL111111111 -0.1730 24 C -1.8998 -1.4001 -2.8727 C.ar 1 UNL111111111 -0.1626 25 C -3.6573 -0.0372 2.3591 C.ar 1 UNL111111111 -0.1723 26 C -2.7274 -3.0007 -1.2628 C.ar 1 UNL111111111 -0.1717 27 C -4.9247 0.5349 2.2621 C.ar 1 UNL111111111 -0.1096 28 C -2.9334 -2.1979 -2.3839 C.ar 1 UNL111111111 -0.0961 29 H 4.8241 0.6643 -1.6676 H 1 UNL111111111 0.1419 30 H 4.7548 2.3313 -1.0038 H 1 UNL111111111 0.1772 31 H 5.6289 0.8134 0.7750 H 1 UNL111111111 0.1498 32 H 4.0205 1.4388 1.2536 H 1 UNL111111111 0.1930 33 H 2.4299 0.4977 -1.4601 H 1 UNL111111111 0.3195 34 H 4.1736 -1.2039 -0.1615 H 1 UNL111111111 0.3145 35 H 0.4650 1.8736 -2.1305 H 1 UNL111111111 0.1850 36 H 0.3542 3.5057 -1.4729 H 1 UNL111111111 0.2082 37 H 2.8366 -2.7201 2.6928 H 1 UNL111111111 0.2013 38 H 3.2574 -2.9835 0.9795 H 1 UNL111111111 0.1853 39 H -4.3595 2.6806 -0.3221 H 1 UNL111111111 0.1682 40 H 0.1544 -0.7829 -2.6254 H 1 UNL111111111 0.1632 41 H -1.6565 -0.1074 1.5818 H 1 UNL111111111 0.1750 42 H -1.3470 -3.6512 0.2434 H 1 UNL111111111 0.1626 43 H -6.1698 1.9604 1.2270 H 1 UNL111111111 0.1558 44 H -2.0636 -0.7762 -3.7507 H 1 UNL111111111 0.1636 45 H -3.4591 -0.7990 3.1118 H 1 UNL111111111 0.1569 46 H -3.5337 -3.6284 -0.8868 H 1 UNL111111111 0.1554 47 H -5.7168 0.2189 2.9398 H 1 UNL111111111 0.1486 48 H -3.9033 -2.1952 -2.8812 H 1 UNL111111111 0.1532 @BOND 1 1 13 1 2 1 17 1 3 2 14 1 4 2 18 1 5 3 11 2 6 4 12 2 7 5 17 2 8 6 18 2 9 7 9 1 10 7 11 am 11 7 33 1 12 8 10 1 13 8 12 am 14 8 34 1 15 9 10 1 16 9 29 1 17 9 30 1 18 10 31 1 19 10 32 1 20 11 13 1 21 12 14 1 22 13 35 1 23 13 36 1 24 14 37 1 25 14 38 1 26 15 17 1 27 15 19 ar 28 15 21 ar 29 16 18 1 30 16 20 ar 31 16 22 ar 32 19 23 ar 33 19 39 1 34 20 24 ar 35 20 40 1 36 21 25 ar 37 21 41 1 38 22 26 ar 39 22 42 1 40 23 27 ar 41 23 43 1 42 24 28 ar 43 24 44 1 44 25 27 ar 45 25 45 1 46 26 28 ar 47 26 46 1 48 27 47 1 49 28 48 1