@MOLECULE (7s)-7-methyl-8-[(4-methylphenyl)sulfinyl]-2,3,6,7-tetrahydro-5(1h)-indolizinone 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.4901 1.7206 -0.1812 S.O 1 UNL111111111 1.1124 2 O 3.5471 -2.5178 -0.3315 O.2 1 UNL111111111 -0.5073 3 O -0.6937 2.2691 -1.5488 O.2 1 UNL111111111 -0.7984 4 N 2.8367 -0.4976 0.3553 N.am 1 UNL111111111 -0.4849 5 C 1.8785 0.5217 0.3967 C.2 1 UNL111111111 0.2910 6 C 0.4994 -0.7113 -1.2371 C.3 1 UNL111111111 -0.0256 7 C 2.3914 1.6366 1.2687 C.3 1 UNL111111111 -0.2939 8 C 4.0953 -0.1430 1.0312 C.3 1 UNL111111111 -0.0598 9 C 0.7225 0.4251 -0.2867 C.2 1 UNL111111111 -0.4761 10 C 3.8250 1.2313 1.6838 C.3 1 UNL111111111 -0.2865 11 C 1.2368 -1.9866 -0.7739 C.3 1 UNL111111111 -0.3744 12 C 2.6327 -1.7283 -0.2757 C.2 1 UNL111111111 0.6026 13 C 0.9769 -0.3031 -2.6381 C.3 1 UNL111111111 -0.4598 14 C -1.9331 0.6888 0.1350 C.ar 1 UNL111111111 -0.2815 15 C -2.0250 -0.0331 1.3207 C.ar 1 UNL111111111 -0.1031 16 C -2.9666 0.6529 -0.7953 C.ar 1 UNL111111111 -0.0860 17 C -3.1596 -0.8004 1.5752 C.ar 1 UNL111111111 -0.2064 18 C -4.1017 -0.1131 -0.5415 C.ar 1 UNL111111111 -0.2071 19 C -4.2018 -0.8449 0.6451 C.ar 1 UNL111111111 0.0662 20 C -5.4206 -1.6574 0.9197 C.3 1 UNL111111111 -0.4637 21 H -0.5902 -0.9689 -1.2997 H 1 UNL111111111 0.1518 22 H 2.3957 2.6001 0.7206 H 1 UNL111111111 0.1741 23 H 1.7467 1.7865 2.1548 H 1 UNL111111111 0.1658 24 H 4.9234 -0.1050 0.2912 H 1 UNL111111111 0.1519 25 H 4.3605 -0.9239 1.7743 H 1 UNL111111111 0.1501 26 H 4.5617 1.9778 1.3467 H 1 UNL111111111 0.1491 27 H 3.9201 1.1746 2.7782 H 1 UNL111111111 0.1449 28 H 1.2763 -2.7271 -1.6024 H 1 UNL111111111 0.1870 29 H 0.6638 -2.4812 0.0400 H 1 UNL111111111 0.1745 30 H 2.0494 -0.0847 -2.6527 H 1 UNL111111111 0.1470 31 H 0.7775 -1.0842 -3.3771 H 1 UNL111111111 0.1453 32 H 0.4613 0.6113 -2.9770 H 1 UNL111111111 0.1823 33 H -1.2212 -0.0179 2.0570 H 1 UNL111111111 0.1480 34 H -2.8932 1.2197 -1.7319 H 1 UNL111111111 0.1802 35 H -3.2325 -1.3675 2.4994 H 1 UNL111111111 0.1503 36 H -4.9091 -0.1419 -1.2684 H 1 UNL111111111 0.1567 37 H -5.8374 -2.1046 0.0054 H 1 UNL111111111 0.1621 38 H -5.2291 -2.4824 1.6193 H 1 UNL111111111 0.1570 39 H -6.2129 -1.0345 1.3638 H 1 UNL111111111 0.1641 @BOND 1 1 3 2 2 1 9 1 3 1 14 1 4 2 12 2 5 4 5 1 6 4 8 1 7 4 12 am 8 5 7 1 9 5 9 2 10 6 9 1 11 6 11 1 12 6 13 1 13 6 21 1 14 7 10 1 15 7 22 1 16 7 23 1 17 8 10 1 18 8 24 1 19 8 25 1 20 10 26 1 21 10 27 1 22 11 12 1 23 11 28 1 24 11 29 1 25 13 30 1 26 13 31 1 27 13 32 1 28 14 15 ar 29 14 16 ar 30 15 17 ar 31 15 33 1 32 16 18 ar 33 16 34 1 34 17 19 ar 35 17 35 1 36 18 19 ar 37 18 36 1 38 19 20 1 39 20 37 1 40 20 38 1 41 20 39 1