@MOLECULE bis{1-[(2,4-dinitrophenyl)amino]-2-sulfanylethyl}dithioperoxyanhydride 54 55 0 0 0 SMALL USER_CHARGES @ATOM 1 S 0.1047 -4.0707 0.8560 S.3 1 UNL111 -0.0463 2 S 1.8729 -3.6689 -0.0105 S.3 1 UNL111 -0.0533 3 S -3.3533 -4.1899 -1.0108 S.3 1 UNL111 -0.1357 4 S 6.0969 -0.9660 -0.7872 S.3 1 UNL111 -0.1187 5 O 1.8693 -1.5491 1.6077 O.2 1 UNL111 -0.3563 6 O -0.7689 -2.1185 -0.7407 O.2 1 UNL111 -0.3561 7 O 3.6068 2.5458 0.4566 O.2 1 UNL111 -0.4910 8 O -4.6363 0.1819 -0.3196 O.2 1 UNL111 -0.4924 9 O 2.4379 4.1928 -0.2681 O.2 1 UNL111 -0.3390 10 O -4.4946 2.3209 -0.2584 O.2 1 UNL111 -0.3334 11 O -2.2458 1.5801 -3.2551 O.2 1 UNL111 -0.4078 12 O 0.5966 3.4770 2.9586 O.2 1 UNL111 -0.4035 13 O -1.6456 3.5569 -2.6381 O.2 1 UNL111 -0.3901 14 O -0.9739 4.5877 1.9882 O.2 1 UNL111 -0.3908 15 N -2.8698 -1.2930 0.8022 N.pl3 1 UNL111 -0.4883 16 N 3.0599 0.1391 -0.2311 N.pl3 1 UNL111 -0.4849 17 N 2.6434 3.0004 -0.1665 N.pl3 1 UNL111 0.6656 18 N -4.0601 1.2213 0.0166 N.pl3 1 UNL111 0.6639 19 N -1.4767 2.3507 -2.7012 N.pl3 1 UNL111 0.6446 20 N -0.4316 3.5425 2.3049 N.pl3 1 UNL111 0.6454 21 C 3.3771 -1.2866 -0.2562 C.3 1 UNL111 0.0055 22 C -2.2948 -2.6106 1.0642 C.3 1 UNL111 -0.0033 23 C 1.9822 0.6756 -0.8644 C.ar 1 UNL111 0.3557 24 C -2.2487 -0.1279 1.1311 C.ar 1 UNL111 0.3596 25 C -3.3209 -3.7030 0.7531 C.3 1 UNL111 -0.3613 26 C 4.7677 -1.5324 0.3374 C.3 1 UNL111 -0.3650 27 C -2.8363 1.1259 0.7698 C.ar 1 UNL111 -0.2782 28 C 1.7383 2.0844 -0.8091 C.ar 1 UNL111 -0.2823 29 C 2.3515 -2.0209 0.6258 C.2 1 UNL111 0.3462 30 C -1.0368 -2.7942 0.2022 C.2 1 UNL111 0.3711 31 C -1.0294 -0.1080 1.8693 C.ar 1 UNL111 -0.3442 32 C 1.0684 -0.1317 -1.6009 C.ar 1 UNL111 -0.3405 33 C -2.2268 2.3270 1.1543 C.ar 1 UNL111 0.0723 34 C 0.5976 2.6267 -1.4169 C.ar 1 UNL111 0.0712 35 C -1.0466 2.3016 1.8826 C.ar 1 UNL111 -0.2162 36 C -0.2953 1.7962 -2.0775 C.ar 1 UNL111 -0.2178 37 C -0.4420 1.0768 2.2379 C.ar 1 UNL111 0.0524 38 C -0.0556 0.4080 -2.1748 C.ar 1 UNL111 0.0587 39 H -2.0203 -2.6637 2.1626 H 1 UNL111 0.1877 40 H 3.3320 -1.6570 -1.3243 H 1 UNL111 0.1968 41 H -3.7039 -1.2462 0.1963 H 1 UNL111 0.3612 42 H 3.6059 0.7405 0.4038 H 1 UNL111 0.3618 43 H 4.8692 -1.0725 1.3411 H 1 UNL111 0.1825 44 H 4.9418 -2.6192 0.4951 H 1 UNL111 0.1881 45 H -3.0932 -4.6275 1.3270 H 1 UNL111 0.1903 46 H -4.3329 -3.4021 1.0994 H 1 UNL111 0.1908 47 H 1.2473 -1.1994 -1.7096 H 1 UNL111 0.1836 48 H -0.5469 -1.0416 2.1524 H 1 UNL111 0.1793 49 H 0.4138 3.7179 -1.3684 H 1 UNL111 0.2193 50 H -2.6889 3.2946 0.8748 H 1 UNL111 0.2205 51 H 0.4972 1.0820 2.8102 H 1 UNL111 0.1901 52 H -0.7721 -0.2316 -2.7101 H 1 UNL111 0.1913 53 H 6.1029 0.3445 -0.5030 H 1 UNL111 0.1674 54 H -3.8520 -3.0703 -1.5580 H 1 UNL111 0.1736 @BOND 1 11 19 2 2 52 38 1 3 19 13 2 4 19 36 1 5 38 36 ar 6 38 32 ar 7 36 34 ar 8 47 32 1 9 32 23 ar 10 54 3 1 11 34 49 1 12 34 28 ar 13 40 21 1 14 3 25 1 15 23 28 ar 16 23 16 1 17 28 17 1 18 4 53 1 19 4 26 1 20 6 30 2 21 8 18 2 22 9 17 2 23 10 18 2 24 21 16 1 25 21 26 1 26 21 29 1 27 16 42 1 28 17 7 2 29 2 29 1 30 2 1 1 31 18 27 1 32 41 15 1 33 30 1 1 34 30 22 1 35 26 44 1 36 26 43 1 37 29 5 2 38 25 22 1 39 25 46 1 40 25 45 1 41 27 24 ar 42 27 33 ar 43 15 22 1 44 15 24 1 45 50 33 1 46 22 39 1 47 24 31 ar 48 33 35 ar 49 31 48 1 50 31 37 ar 51 35 37 ar 52 35 20 1 53 14 20 2 54 37 51 1 55 20 12 2