@MOLECULE 2,3,4,4a,7,8,12b,13-octahydro-1h-6-thia-13a-azabenzo[f]naphtho[1,2,3-cd]azulene 42 46 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.5147 3.2446 -0.6208 S.2 1 UNL111111 0.1784 2 N 1.8276 -0.9220 0.5530 N.3 1 UNL111111 -0.4304 3 C 2.2604 0.4826 0.3073 C.3 1 UNL111111 0.0549 4 C -0.4865 -0.3205 1.2428 C.3 1 UNL111111 -0.1144 5 C 0.8428 -0.9935 1.6544 C.3 1 UNL111111 -0.1245 6 C -0.2568 0.9647 0.5206 C.ar 1 UNL111111 -0.0520 7 C 1.0645 1.3635 0.0984 C.ar 1 UNL111111 -0.0280 8 C 3.1549 0.4875 -0.9568 C.3 1 UNL111111 -0.2743 9 C 2.9994 -1.7864 0.8448 C.3 1 UNL111111 -0.1016 10 C 4.3788 -0.4089 -0.7461 C.3 1 UNL111111 -0.2636 11 C 3.9118 -1.8247 -0.3946 C.3 1 UNL111111 -0.2725 12 C -1.3912 -1.1550 0.3722 C.ar 1 UNL111111 -0.0092 13 C -1.2371 1.8488 0.1692 C.ar 1 UNL111111 -0.1258 14 C -2.7082 1.7557 0.2985 C.3 1 UNL111111 -0.2496 15 C 1.0873 2.5854 -0.5043 C.ar 1 UNL111111 -0.3229 16 C -2.7332 -0.7566 0.2576 C.ar 1 UNL111111 -0.0109 17 C -3.2200 0.4665 0.9744 C.3 1 UNL111111 -0.2733 18 C -0.9316 -2.2493 -0.3555 C.ar 1 UNL111111 -0.1424 19 C -3.6050 -1.4861 -0.5489 C.ar 1 UNL111111 -0.1744 20 C -1.8076 -2.9731 -1.1627 C.ar 1 UNL111111 -0.1542 21 C -3.1448 -2.5971 -1.2537 C.ar 1 UNL111111 -0.1521 22 H 2.8508 0.8855 1.1766 H 1 UNL111111 0.1247 23 H -1.0278 -0.1019 2.2089 H 1 UNL111111 0.1571 24 H 1.2153 -0.5157 2.5875 H 1 UNL111111 0.1187 25 H 0.6484 -2.0632 1.8929 H 1 UNL111111 0.1487 26 H 3.4656 1.5176 -1.1986 H 1 UNL111111 0.1336 27 H 2.5593 0.1249 -1.8188 H 1 UNL111111 0.1632 28 H 2.6262 -2.8111 1.0617 H 1 UNL111111 0.1340 29 H 3.5728 -1.4490 1.7333 H 1 UNL111111 0.1096 30 H 5.0218 -0.0032 0.0558 H 1 UNL111111 0.1318 31 H 5.0013 -0.4243 -1.6591 H 1 UNL111111 0.1346 32 H 3.3509 -2.2560 -1.2481 H 1 UNL111111 0.1552 33 H 4.7712 -2.4908 -0.2117 H 1 UNL111111 0.1277 34 H -3.1060 2.6281 0.8650 H 1 UNL111111 0.1538 35 H -3.1737 1.8178 -0.7150 H 1 UNL111111 0.1622 36 H 1.9397 3.1128 -0.8889 H 1 UNL111111 0.1779 37 H -4.3287 0.4932 1.0033 H 1 UNL111111 0.1459 38 H -2.9080 0.4482 2.0392 H 1 UNL111111 0.1505 39 H 0.1252 -2.5234 -0.3194 H 1 UNL111111 0.1771 40 H -4.6457 -1.1850 -0.6374 H 1 UNL111111 0.1456 41 H -1.4401 -3.8269 -1.7269 H 1 UNL111111 0.1472 42 H -3.8292 -3.1625 -1.8809 H 1 UNL111111 0.1433 @BOND 1 1 13 ar 2 1 15 ar 3 2 3 1 4 2 5 1 5 2 9 1 6 3 7 1 7 3 8 1 8 3 22 1 9 4 5 1 10 4 6 1 11 4 12 1 12 4 23 1 13 5 24 1 14 5 25 1 15 6 7 ar 16 6 13 ar 17 7 15 ar 18 8 10 1 19 8 26 1 20 8 27 1 21 9 11 1 22 9 28 1 23 9 29 1 24 10 11 1 25 10 30 1 26 10 31 1 27 11 32 1 28 11 33 1 29 12 16 ar 30 12 18 ar 31 13 14 1 32 14 17 1 33 14 34 1 34 14 35 1 35 15 36 1 36 16 17 1 37 16 19 ar 38 17 37 1 39 17 38 1 40 18 20 ar 41 18 39 1 42 19 21 ar 43 19 40 1 44 20 21 ar 45 20 41 1 46 21 42 1