@MOLECULE **** 36 36 1 0 0 SMALL USER_CHARGES @ATOM 1 C -3.4099 0.2986 -5.0659 C.3 1 **** 0.0000 2 C -2.4971 -0.1783 -3.9440 C.3 1 **** 0.0000 3 C -3.1003 0.2062 -2.5995 C.3 1 **** 0.0000 4 C -2.1874 -0.2707 -1.4776 C.3 1 **** 0.0000 5 N -2.7618 0.0954 -0.1975 N.am 1 **** 0.0000 6 C -2.1127 -0.2317 0.9626 C.2 1 **** 0.0000 7 O -2.5912 0.0733 2.0291 O.2 1 **** 0.0000 8 N -0.9214 -0.9044 0.9142 N.am 1 **** 0.0000 9 S -0.1173 -1.3096 2.3515 S.o 1 **** 0.0000 10 O -0.8882 -0.8377 3.4853 O.2 1 **** 0.0000 11 O 0.0313 -2.7497 2.4324 O.2 1 **** 0.0000 12 C 1.4993 -0.5413 2.3687 C.ar 1 **** 0.0000 13 C 1.9079 0.2479 1.2936 C.ar 1 **** 0.0000 14 C 3.1677 0.8465 1.3071 C.ar 1 **** 0.0000 15 C 4.0187 0.6561 2.3956 C.ar 1 **** 0.0000 16 C 5.3707 1.2986 2.4100 C.3 1 **** 0.0000 17 C 3.6101 -0.1330 3.4708 C.ar 1 **** 0.0000 18 C 2.3503 -0.7317 3.4573 C.ar 1 **** 0.0000 19 H -2.9691 0.0176 -6.0485 H 1 **** 0.0000 20 H -4.4096 -0.1787 -4.9583 H 1 **** 0.0000 21 H -3.5182 1.4050 -5.0109 H 1 **** 0.0000 22 H -1.4974 0.2990 -4.0516 H 1 **** 0.0000 23 H -2.3888 -1.2847 -3.9990 H 1 **** 0.0000 24 H -4.1000 -0.2711 -2.4919 H 1 **** 0.0000 25 H -3.2086 1.3126 -2.5444 H 1 **** 0.0000 26 H -1.1877 0.2065 -1.5852 H 1 **** 0.0000 27 H -2.0792 -1.3771 -1.5326 H 1 **** 0.0000 28 H -3.6424 0.5927 -0.1617 H 1 **** 0.0000 29 H -0.5206 -1.1600 0.0208 H 1 **** 0.0000 30 H 1.2366 0.3981 0.4352 H 1 **** 0.0000 31 H 3.4900 1.4688 0.4592 H 1 **** 0.0000 32 H 5.5142 1.8834 1.4740 H 1 **** 0.0000 33 H 5.4483 1.9789 3.2875 H 1 **** 0.0000 34 H 6.1546 0.5115 2.4793 H 1 **** 0.0000 35 H 4.2813 -0.2831 4.3292 H 1 **** 0.0000 36 H 2.0280 -1.3540 4.3051 H 1 **** 0.0000 @BOND 1 1 2 1 2 1 19 1 3 1 20 1 4 1 21 1 5 2 3 1 6 2 22 1 7 2 23 1 8 3 4 1 9 3 24 1 10 3 25 1 11 4 5 1 12 4 26 1 13 4 27 1 14 5 6 1 15 5 28 1 16 6 7 2 17 6 8 1 18 8 9 1 19 8 29 1 20 9 10 2 21 9 11 2 22 9 12 1 23 12 13 1 24 12 18 2 25 13 14 2 26 13 30 1 27 14 15 1 28 14 31 1 29 15 16 1 30 15 17 2 31 16 32 1 32 16 33 1 33 16 34 1 34 17 18 1 35 17 35 1 36 18 36 1