@MOLECULE 2,2'-(disulfanediyldi-2,1-phenylene)diguanidine 38 39 0 0 0 SMALL USER_CHARGES @ATOM 1 S -0.7579 1.4278 1.1990 S.3 1 UNL111111 -0.0216 2 S 0.6560 0.1490 1.8574 S.3 1 UNL111111 -0.0052 3 N -1.3515 -0.0109 -1.5783 N.pl3 1 UNL111111 -0.6507 4 N 1.4748 -1.4490 -0.7243 N.pl3 1 UNL111111 -0.6633 5 N 0.5220 0.4845 -2.8370 N.pl3 1 UNL111111 -0.6001 6 N -0.8293 2.2912 -2.0675 N.pl3 1 UNL111111 -0.6688 7 N -0.4347 -2.7656 -0.6337 N.pl3 1 UNL111111 -0.6292 8 N 1.2557 -3.1512 0.9750 N.pl3 1 UNL111111 -0.6483 9 C -2.2033 0.5953 0.6479 C.ar 1 UNL111111 -0.2451 10 C 2.0993 0.3141 0.8657 C.ar 1 UNL111111 -0.2588 11 C -2.3840 0.1262 -0.6665 C.ar 1 UNL111111 0.2937 12 C 2.3947 -0.5650 -0.1931 C.ar 1 UNL111111 0.2842 13 C -3.2453 0.4758 1.5734 C.ar 1 UNL111111 -0.0506 14 C 3.0035 1.3255 1.2002 C.ar 1 UNL111111 -0.0497 15 C -3.6348 -0.4137 -1.0427 C.ar 1 UNL111111 -0.2387 16 C 3.6202 -0.4289 -0.8831 C.ar 1 UNL111111 -0.2553 17 C -4.4681 -0.0616 1.1955 C.ar 1 UNL111111 -0.2327 18 C 4.2009 1.4570 0.5091 C.ar 1 UNL111111 -0.2367 19 C -4.6603 -0.5024 -0.1184 C.ar 1 UNL111111 -0.0715 20 C 4.5077 0.5725 -0.5302 C.ar 1 UNL111111 -0.0698 21 C -0.5709 0.9197 -2.0707 C.cat 1 UNL111111 0.6169 22 C 0.8013 -2.3939 -0.1121 C.cat 1 UNL111111 0.6247 23 H -3.1086 0.8085 2.6065 H 1 UNL111111 0.1619 24 H 2.7790 2.0235 2.0125 H 1 UNL111111 0.1649 25 H -3.7663 -0.7635 -2.0653 H 1 UNL111111 0.1733 26 H 3.8474 -1.1228 -1.6903 H 1 UNL111111 0.1734 27 H -5.2752 -0.1438 1.9175 H 1 UNL111111 0.1531 28 H 4.9021 2.2428 0.7763 H 1 UNL111111 0.1563 29 H -5.6233 -0.9202 -0.4114 H 1 UNL111111 0.1473 30 H 5.4533 0.6741 -1.0634 H 1 UNL111111 0.1498 31 H 0.8464 -0.4480 -2.5680 H 1 UNL111111 0.3356 32 H 1.2757 1.1325 -2.9704 H 1 UNL111111 0.2849 33 H -0.1031 2.9450 -2.2714 H 1 UNL111111 0.3022 34 H -1.5643 2.6402 -1.4819 H 1 UNL111111 0.3142 35 H -0.8344 -2.0879 -1.2883 H 1 UNL111111 0.3494 36 H -0.6215 -3.7288 -0.8223 H 1 UNL111111 0.3029 37 H 0.5697 -3.6121 1.5483 H 1 UNL111111 0.3045 38 H 2.0335 -2.7832 1.4958 H 1 UNL111111 0.3030 @BOND 1 32 5 1 2 5 31 1 3 5 21 1 4 33 6 1 5 21 6 1 6 21 3 2 7 6 34 1 8 25 15 1 9 26 16 1 10 3 11 1 11 35 7 1 12 30 20 1 13 15 11 ar 14 15 19 ar 15 16 20 ar 16 16 12 ar 17 36 7 1 18 4 12 1 19 4 22 2 20 11 9 ar 21 7 22 1 22 20 18 ar 23 29 19 1 24 12 10 ar 25 19 17 ar 26 22 8 1 27 18 28 1 28 18 14 ar 29 9 1 1 30 9 13 ar 31 10 14 ar 32 10 2 1 33 8 38 1 34 8 37 1 35 17 13 ar 36 17 27 1 37 1 2 1 38 14 24 1 39 13 23 1