@MOLECULE susalimod 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 S 4.2305 1.7454 -0.4357 S.O2 1 UNL1111111111 2.3814 2 O 4.4047 2.9656 0.3224 O.2 1 UNL1111111111 -0.9102 3 O 4.8058 1.6068 -1.7433 O.2 1 UNL1111111111 -0.8619 4 O -8.1050 -1.1153 -0.8447 O.3 1 UNL1111111111 -0.4545 5 O -6.5842 0.9430 2.4846 O.3 1 UNL1111111111 -0.5284 6 O -8.4003 0.0832 1.5259 O.2 1 UNL1111111111 -0.5692 7 N 5.0063 0.5979 0.6593 N.pl3 1 UNL1111111111 -0.8264 8 N 4.1873 -1.2465 -0.4858 N.ar 1 UNL1111111111 -0.4896 9 C 2.5362 1.3232 -0.4607 C.ar 1 UNL1111111111 -0.3817 10 C 5.0204 -0.7761 0.4797 C.ar 1 UNL1111111111 0.4008 11 C 5.8241 -1.6398 1.2787 C.ar 1 UNL1111111111 -0.1548 12 C 2.0324 0.5236 -1.4858 C.ar 1 UNL1111111111 -0.0175 13 C 1.6925 1.7935 0.5466 C.ar 1 UNL1111111111 -0.0556 14 C -0.1690 0.6605 -0.4986 C.ar 1 UNL1111111111 0.0892 15 C 0.6803 0.1901 -1.5075 C.ar 1 UNL1111111111 -0.1900 16 C 0.3418 1.4631 0.5324 C.ar 1 UNL1111111111 -0.1869 17 C 5.7286 -3.0035 1.0384 C.ar 1 UNL1111111111 -0.0536 18 C 6.7303 -1.1007 2.3262 C.3 1 UNL1111111111 -0.4320 19 C 4.8742 -3.4899 0.0450 C.ar 1 UNL1111111111 -0.3152 20 C 4.1238 -2.5739 -0.6932 C.ar 1 UNL1111111111 0.1102 21 C -4.0966 -0.2116 -0.5931 C.ar 1 UNL1111111111 -0.0997 22 C -1.5388 0.3435 -0.5247 C.1 1 UNL1111111111 -0.1258 23 C -6.3010 -0.1078 0.4046 C.ar 1 UNL1111111111 -0.3448 24 C -4.9311 0.1819 0.4508 C.ar 1 UNL1111111111 0.0323 25 C -4.6286 -0.9074 -1.7032 C.ar 1 UNL1111111111 -0.0024 26 C -6.8136 -0.7992 -0.7105 C.ar 1 UNL1111111111 0.3954 27 C -5.9740 -1.2020 -1.7685 C.ar 1 UNL1111111111 -0.2901 28 C -2.7255 0.0831 -0.5534 C.1 1 UNL1111111111 -0.0422 29 C -7.2016 0.2881 1.4761 C.2 1 UNL1111111111 0.6821 30 H 5.6355 0.9825 1.3615 H 1 UNL1111111111 0.3320 31 H 2.6939 0.1407 -2.2755 H 1 UNL1111111111 0.1843 32 H 2.0768 2.4317 1.3510 H 1 UNL1111111111 0.1725 33 H 0.2829 -0.4355 -2.3034 H 1 UNL1111111111 0.1591 34 H -0.3219 1.8252 1.3144 H 1 UNL1111111111 0.1595 35 H 6.3240 -3.7042 1.6250 H 1 UNL1111111111 0.1542 36 H 6.1755 -0.5508 3.1021 H 1 UNL1111111111 0.1579 37 H 7.2861 -1.8941 2.8473 H 1 UNL1111111111 0.1581 38 H 7.4863 -0.4218 1.9012 H 1 UNL1111111111 0.1598 39 H 4.7979 -4.5533 -0.1483 H 1 UNL1111111111 0.1666 40 H 3.4374 -2.8907 -1.4873 H 1 UNL1111111111 0.1657 41 H -4.5187 0.7198 1.3117 H 1 UNL1111111111 0.1798 42 H -3.9567 -1.2080 -2.5109 H 1 UNL1111111111 0.1618 43 H -6.4071 -1.7357 -2.6132 H 1 UNL1111111111 0.1877 44 H -8.6536 -0.7990 -0.0497 H 1 UNL1111111111 0.3791 45 H -7.2089 1.2094 3.2114 H 1 UNL1111111111 0.3631 @BOND 1 1 2 2 2 1 3 2 3 1 7 1 4 1 9 1 5 4 26 1 6 4 44 1 7 5 29 1 8 5 45 1 9 6 29 2 10 7 10 1 11 7 30 1 12 8 10 ar 13 8 20 ar 14 9 12 ar 15 9 13 ar 16 10 11 ar 17 11 17 ar 18 11 18 1 19 12 15 ar 20 12 31 1 21 13 16 ar 22 13 32 1 23 14 15 ar 24 14 16 ar 25 14 22 1 26 15 33 1 27 16 34 1 28 17 19 ar 29 17 35 1 30 18 36 1 31 18 37 1 32 18 38 1 33 19 20 ar 34 19 39 1 35 20 40 1 36 21 24 ar 37 21 25 ar 38 21 28 1 39 22 28 3 40 23 24 ar 41 23 26 ar 42 23 29 1 43 24 41 1 44 25 27 ar 45 25 42 1 46 26 27 ar 47 27 43 1