@MOLECULE 2,2'-dithiobis-(n-(4-sulfamoylphenyl)-benzamide) 62 65 0 0 0 SMALL USER_CHARGES @ATOM 1 S -7.2597 -2.2650 -0.1205 S.O2 1 UNL111111 2.3589 2 S 7.2524 -2.2691 0.1051 S.O2 1 UNL111111 2.3592 3 S -0.4287 3.6778 0.9210 S.3 1 UNL111111 0.0548 4 S 0.4452 3.6893 -0.8959 S.3 1 UNL111111 0.0564 5 O -7.1532 -3.6818 -0.3842 O.2 1 UNL111111 -0.9173 6 O -8.2649 -1.7137 0.7587 O.2 1 UNL111111 -0.9157 7 O 7.1511 -3.6914 0.3369 O.2 1 UNL111111 -0.9170 8 O 8.2539 -1.6991 -0.7670 O.2 1 UNL111111 -0.9156 9 O -2.5031 1.7655 2.4916 O.2 1 UNL111111 -0.4404 10 O 2.5100 1.7843 -2.4802 O.2 1 UNL111111 -0.4402 11 N -1.9121 -0.1333 1.3680 N.am 1 UNL111111 -0.5874 12 N 1.9099 -0.1260 -1.3805 N.am 1 UNL111111 -0.5875 13 N -7.5527 -1.5247 -1.6700 N.3 1 UNL111111 -0.9474 14 N 7.5400 -1.5593 1.6709 N.3 1 UNL111111 -0.9486 15 C -3.2011 -0.6027 1.0555 C.ar 1 UNL111111 0.2841 16 C 3.1968 -0.5966 -1.0598 C.ar 1 UNL111111 0.2837 17 C -5.6941 -1.6464 0.3435 C.ar 1 UNL111111 -0.4383 18 C 5.6848 -1.6490 -0.3453 C.ar 1 UNL111111 -0.4384 19 C -0.1699 1.2811 2.2879 C.ar 1 UNL111111 -0.1157 20 C 0.1758 1.3069 -2.2834 C.ar 1 UNL111111 -0.1159 21 C -3.2834 -1.8231 0.3535 C.ar 1 UNL111111 -0.3036 22 C 3.2777 -1.8208 -0.3641 C.ar 1 UNL111111 -0.3036 23 C -4.3753 0.0756 1.4133 C.ar 1 UNL111111 -0.2591 24 C 4.3728 0.0864 -1.4024 C.ar 1 UNL111111 -0.2587 25 C -4.5271 -2.3331 0.0035 C.ar 1 UNL111111 -0.0048 26 C 4.5182 -2.3362 -0.0148 C.ar 1 UNL111111 -0.0042 27 C -5.6103 -0.4520 1.0592 C.ar 1 UNL111111 -0.0117 28 C 5.6053 -0.4447 -1.0465 C.ar 1 UNL111111 -0.0128 29 C -1.6305 1.0450 2.0790 C.2 1 UNL111111 0.5809 30 C 1.6340 1.0618 -2.0787 C.2 1 UNL111111 0.5810 31 C 0.4605 2.4322 1.8208 C.ar 1 UNL111111 -0.0874 32 C -0.4501 2.4566 -1.8064 C.ar 1 UNL111111 -0.0877 33 C 0.5608 0.3339 3.0065 C.ar 1 UNL111111 -0.1337 34 C -0.5576 0.3674 -3.0097 C.ar 1 UNL111111 -0.1339 35 C 1.8176 2.6370 2.0648 C.ar 1 UNL111111 -0.1149 36 C -1.8086 2.6662 -2.0457 C.ar 1 UNL111111 -0.1141 37 C 1.9183 0.5366 3.2427 C.ar 1 UNL111111 -0.1327 38 C -1.9150 0.5758 -3.2410 C.ar 1 UNL111111 -0.1329 39 C 2.5491 1.6850 2.7697 C.ar 1 UNL111111 -0.1297 40 C -2.5437 1.7210 -2.7571 C.ar 1 UNL111111 -0.1298 41 H -2.3854 -2.3653 0.0810 H 1 UNL111111 0.1550 42 H 2.3737 -2.3614 -0.0981 H 1 UNL111111 0.1550 43 H -4.3364 1.0156 1.9679 H 1 UNL111111 0.2038 44 H 4.3385 1.0343 -1.9431 H 1 UNL111111 0.2037 45 H -4.5775 -3.2875 -0.5354 H 1 UNL111111 0.1697 46 H 4.5648 -3.2943 0.5182 H 1 UNL111111 0.1694 47 H -6.5168 0.0891 1.3596 H 1 UNL111111 0.1744 48 H 6.5126 0.0995 -1.3388 H 1 UNL111111 0.1748 49 H -1.1268 -0.6838 1.0321 H 1 UNL111111 0.3117 50 H 1.1230 -0.6789 -1.0556 H 1 UNL111111 0.3115 51 H 0.0695 -0.5575 3.3986 H 1 UNL111111 0.1646 52 H -0.0695 -0.5219 -3.4121 H 1 UNL111111 0.1649 53 H 2.3294 3.5386 1.7170 H 1 UNL111111 0.1760 54 H -2.3153 3.5670 -1.6860 H 1 UNL111111 0.1760 55 H 2.4866 -0.2061 3.8020 H 1 UNL111111 0.1611 56 H -2.4875 -0.1562 -3.8096 H 1 UNL111111 0.1609 57 H 3.6117 1.8422 2.9542 H 1 UNL111111 0.1609 58 H -3.6074 1.8786 -2.9392 H 1 UNL111111 0.1610 59 H -8.2418 -0.7917 -1.6918 H 1 UNL111111 0.2916 60 H -7.6759 -2.1486 -2.4493 H 1 UNL111111 0.2917 61 H 7.6634 -2.1979 2.4380 H 1 UNL111111 0.2923 62 H 8.2223 -0.8204 1.7075 H 1 UNL111111 0.2918 @BOND 1 56 38 1 2 52 34 1 3 38 34 ar 4 38 40 ar 5 34 20 ar 6 58 40 1 7 40 36 ar 8 10 30 2 9 60 13 1 10 20 30 1 11 20 32 ar 12 30 12 am 13 36 32 ar 14 36 54 1 15 44 24 1 16 32 4 1 17 59 13 1 18 13 1 1 19 24 16 ar 20 24 28 ar 21 12 16 1 22 12 50 1 23 48 28 1 24 16 22 ar 25 28 18 ar 26 4 3 1 27 8 2 2 28 45 25 1 29 5 1 2 30 22 42 1 31 22 26 ar 32 18 26 ar 33 18 2 1 34 1 17 1 35 1 6 2 36 26 46 1 37 25 17 ar 38 25 21 ar 39 41 21 1 40 2 7 2 41 2 14 1 42 17 27 ar 43 21 15 ar 44 3 31 1 45 49 11 1 46 27 47 1 47 27 23 ar 48 15 11 1 49 15 23 ar 50 11 29 am 51 23 43 1 52 14 62 1 53 14 61 1 54 53 35 1 55 31 35 ar 56 31 19 ar 57 35 39 ar 58 29 19 1 59 29 9 2 60 19 33 ar 61 39 57 1 62 39 37 ar 63 33 37 ar 64 33 51 1 65 37 55 1