@MOLECULE rafoxanide 38 40 0 0 0 SMALL USER_CHARGES @ATOM 1 I -5.9687 -2.0750 -0.1470 I 1 UNL111111 0.0726 2 I -3.5951 3.4649 0.0005 I 1 UNL111111 0.0221 3 CL 5.2935 0.9606 1.5033 Cl 1 UNL111111 -0.0365 4 CL 10.3231 1.1361 -1.3906 Cl 1 UNL111111 -0.0852 5 O 5.8953 -1.9171 0.7968 O.3 1 UNL111111 -0.2808 6 O -2.8213 -2.7068 -0.2477 O.3 1 UNL111111 -0.4427 7 O -0.2813 -2.2245 -0.6843 O.2 1 UNL111111 -0.5540 8 N 0.5498 -0.4191 0.4233 N.am 1 UNL111111 -0.5301 9 C 1.9050 -0.8272 0.4684 C.ar 1 UNL111111 0.2041 10 C -1.8264 -0.5232 -0.1407 C.ar 1 UNL111111 -0.3196 11 C 4.6031 -1.4809 0.6271 C.ar 1 UNL111111 0.1346 12 C 2.8323 0.1417 0.8977 C.ar 1 UNL111111 -0.2365 13 C 2.3358 -2.1179 0.1277 C.ar 1 UNL111111 -0.1726 14 C -0.4763 -1.1294 -0.1762 C.2 1 UNL111111 0.6283 15 C 4.1714 -0.2020 0.9754 C.ar 1 UNL111111 -0.0301 16 C 3.6852 -2.4421 0.2019 C.ar 1 UNL111111 -0.1461 17 C -2.9465 -1.3792 -0.1721 C.ar 1 UNL111111 0.3708 18 C -2.0217 0.8618 -0.1153 C.ar 1 UNL111111 -0.0459 19 C 6.8805 -1.1309 0.2400 C.ar 1 UNL111111 0.2133 20 C -4.2513 -0.8418 -0.1103 C.ar 1 UNL111111 -0.1943 21 C -3.3074 1.3718 -0.0585 C.ar 1 UNL111111 -0.1577 22 C -4.4265 0.5297 -0.0457 C.ar 1 UNL111111 -0.0573 23 C 6.7204 -0.4543 -0.9694 C.ar 1 UNL111111 -0.2302 24 C 8.0826 -1.1360 0.9541 C.ar 1 UNL111111 -0.1976 25 C 7.8041 0.2562 -1.4793 C.ar 1 UNL111111 -0.1138 26 C 9.1618 -0.4286 0.4351 C.ar 1 UNL111111 -0.1183 27 C 8.9966 0.2544 -0.7656 C.ar 1 UNL111111 -0.0221 28 H 0.3384 0.4695 0.8717 H 1 UNL111111 0.3187 29 H 2.5060 1.1464 1.1663 H 1 UNL111111 0.1783 30 H 1.6229 -2.8815 -0.2016 H 1 UNL111111 0.2086 31 H 4.0353 -3.4419 -0.0626 H 1 UNL111111 0.1842 32 H -1.1560 1.5287 -0.1585 H 1 UNL111111 0.1661 33 H -5.4333 0.9603 0.0054 H 1 UNL111111 0.1786 34 H 5.7715 -0.4784 -1.5007 H 1 UNL111111 0.1762 35 H 8.1570 -1.6783 1.8951 H 1 UNL111111 0.1809 36 H 7.7093 0.8009 -2.4197 H 1 UNL111111 0.1736 37 H 10.1133 -0.4087 0.9687 H 1 UNL111111 0.1741 38 H -1.8625 -2.9794 -0.4675 H 1 UNL111111 0.3863 @BOND 1 36 25 1 2 34 23 1 3 25 23 ar 4 25 27 ar 5 4 27 1 6 23 19 ar 7 27 26 ar 8 7 14 2 9 38 6 1 10 6 17 1 11 30 13 1 12 17 10 ar 13 17 20 ar 14 14 10 1 15 14 8 am 16 32 18 1 17 10 18 ar 18 1 20 1 19 20 22 ar 20 18 21 ar 21 31 16 1 22 21 22 ar 23 21 2 1 24 22 33 1 25 13 16 ar 26 13 9 ar 27 16 11 ar 28 19 5 1 29 19 24 ar 30 8 9 1 31 8 28 1 32 26 24 ar 33 26 37 1 34 9 12 ar 35 11 5 1 36 11 15 ar 37 12 15 ar 38 12 29 1 39 24 35 1 40 15 3 1