@MOLECULE 1-(butylsulfonyl)azepane 35 35 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.4226 -0.4502 -0.4860 S.O2 1 UNL1111111111 2.3043 2 O -0.1480 -1.7558 -1.0447 O.2 1 UNL1111111111 -0.9146 3 O -0.5152 0.7156 -1.3365 O.2 1 UNL1111111111 -0.9151 4 N 0.7942 -0.1381 0.7387 N.3 1 UNL1111111111 -0.7550 5 C 1.7947 -1.1948 0.9603 C.3 1 UNL1111111111 -0.0659 6 C 1.3453 1.2277 0.7887 C.3 1 UNL1111111111 -0.0535 7 C 3.0323 -1.1501 0.0426 C.3 1 UNL1111111111 -0.2997 8 C 2.2372 1.6391 -0.3984 C.3 1 UNL1111111111 -0.3062 9 C 4.0058 -0.0428 0.4594 C.3 1 UNL1111111111 -0.2647 10 C 3.7226 1.3097 -0.2110 C.3 1 UNL1111111111 -0.2694 11 C -1.9079 -0.5693 0.5119 C.3 1 UNL1111111111 -0.5728 12 C -3.0928 0.1590 -0.1229 C.3 1 UNL1111111111 -0.2423 13 C -4.3158 0.0979 0.8059 C.3 1 UNL1111111111 -0.2485 14 C -5.5127 0.8035 0.1692 C.3 1 UNL1111111111 -0.4455 15 H 1.3038 -2.1929 0.8596 H 1 UNL1111111111 0.1496 16 H 2.1167 -1.1197 2.0263 H 1 UNL1111111111 0.1328 17 H 1.9157 1.3296 1.7404 H 1 UNL1111111111 0.1373 18 H 0.4883 1.9388 0.8651 H 1 UNL1111111111 0.1358 19 H 2.7280 -1.0286 -1.0144 H 1 UNL1111111111 0.1623 20 H 3.5410 -2.1320 0.0827 H 1 UNL1111111111 0.1364 21 H 2.1251 2.7278 -0.5704 H 1 UNL1111111111 0.1392 22 H 1.8648 1.1799 -1.3370 H 1 UNL1111111111 0.1695 23 H 3.9888 0.0770 1.5595 H 1 UNL1111111111 0.1309 24 H 5.0419 -0.3507 0.2179 H 1 UNL1111111111 0.1289 25 H 4.2167 1.3358 -1.2030 H 1 UNL1111111111 0.1352 26 H 4.2075 2.1094 0.3815 H 1 UNL1111111111 0.1270 27 H -1.7157 -0.1660 1.5268 H 1 UNL1111111111 0.1806 28 H -2.1587 -1.6383 0.6682 H 1 UNL1111111111 0.1812 29 H -2.8414 1.2198 -0.3386 H 1 UNL1111111111 0.1600 30 H -3.3524 -0.2831 -1.1064 H 1 UNL1111111111 0.1488 31 H -4.0783 0.5651 1.7800 H 1 UNL1111111111 0.1310 32 H -4.5748 -0.9553 1.0278 H 1 UNL1111111111 0.1324 33 H -5.7923 0.3411 -0.7845 H 1 UNL1111111111 0.1461 34 H -6.3919 0.7651 0.8212 H 1 UNL1111111111 0.1386 35 H -5.2980 1.8598 -0.0295 H 1 UNL1111111111 0.1455 @BOND 1 1 2 2 2 1 3 2 3 1 4 1 4 1 11 1 5 4 5 1 6 4 6 1 7 5 7 1 8 5 15 1 9 5 16 1 10 6 8 1 11 6 17 1 12 6 18 1 13 7 9 1 14 7 19 1 15 7 20 1 16 8 10 1 17 8 21 1 18 8 22 1 19 9 10 1 20 9 23 1 21 9 24 1 22 10 25 1 23 10 26 1 24 11 12 1 25 11 27 1 26 11 28 1 27 12 13 1 28 12 29 1 29 12 30 1 30 13 14 1 31 13 31 1 32 13 32 1 33 14 33 1 34 14 34 1 35 14 35 1