@MOLECULE (2z)-2-[3-(hydroxyamino)-5,5-dimethyl-2-nitroso-2-cyclohexen-1-ylidene]hydrazinecarbothioamide 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 S -4.7346 -0.7532 0.2999 S.2 1 UNL111 -0.5300 2 O 4.1159 -1.9070 0.0667 O.3 1 UNL111 -0.3120 3 O 0.4323 -2.9613 -0.1569 O.2 1 UNL111 -0.2459 4 N 2.7402 -1.9098 0.3324 N.4 1 UNL111 -0.2808 5 N -1.2308 0.8455 -0.3392 N.2 1 UNL111 -0.2567 6 N -0.0602 -1.8803 -0.3416 N.2 1 UNL111 0.0673 7 N -2.2035 -0.0623 -0.0367 N.am 1 UNL111 -0.3649 8 N -3.7737 1.7106 -0.1288 N.am 1 UNL111 -0.5868 9 C 2.1497 1.7848 0.0955 C.3 1 UNL111 0.1263 10 C 2.9588 0.4866 -0.1156 C.3 1 UNL111 -0.3440 11 C 0.8955 1.7244 -0.7931 C.3 1 UNL111 -0.3053 12 C 1.7556 1.9279 1.5691 C.3 1 UNL111 -0.4684 13 C 3.0119 2.9825 -0.3246 C.3 1 UNL111 -0.4681 14 C 2.1121 -0.7415 -0.0377 C.2 1 UNL111 0.3178 15 C 0.0292 0.5405 -0.4261 C.2 1 UNL111 0.1770 16 C 0.7347 -0.7336 -0.2419 C.2 1 UNL111 -0.3023 17 C -3.5132 0.3823 0.0140 C.2 1 UNL111 0.5050 18 H 3.7942 0.4516 0.6175 H 1 UNL111 0.1780 19 H 3.4616 0.5096 -1.1115 H 1 UNL111 0.1853 20 H 1.1757 1.6463 -1.8643 H 1 UNL111 0.1640 21 H 0.3262 2.6753 -0.7097 H 1 UNL111 0.1737 22 H 1.1416 2.8222 1.7318 H 1 UNL111 0.1570 23 H 1.1616 1.0718 1.9159 H 1 UNL111 0.1617 24 H 2.6310 2.0089 2.2210 H 1 UNL111 0.1475 25 H 3.2848 2.9415 -1.3847 H 1 UNL111 0.1490 26 H 2.4805 3.9283 -0.1621 H 1 UNL111 0.1559 27 H 3.9401 3.0332 0.2552 H 1 UNL111 0.1500 28 H 2.3745 -2.8208 0.0318 H 1 UNL111 0.3383 29 H -1.9896 -1.0694 -0.0247 H 1 UNL111 0.3577 30 H 4.5382 -1.9316 0.9821 H 1 UNL111 0.3104 31 H -3.0451 2.3775 -0.3058 H 1 UNL111 0.3171 32 H -4.7140 2.0541 -0.0609 H 1 UNL111 0.3265 @BOND 1 20 11 1 2 25 13 1 3 19 10 1 4 11 21 1 5 11 15 1 6 11 9 1 7 15 5 2 8 15 16 1 9 6 16 1 10 6 3 2 11 5 7 1 12 13 26 1 13 13 9 1 14 13 27 1 15 31 8 1 16 16 14 2 17 8 32 1 18 8 17 1 19 10 14 1 20 10 9 1 21 10 18 1 22 14 4 1 23 7 29 1 24 7 17 1 25 17 1 2 26 28 4 1 27 2 4 1 28 2 30 1 29 9 12 1 30 12 22 1 31 12 23 1 32 12 24 1