@MOLECULE para-nitrophenoxycarbonyl methyl disulfide 22 22 0 0 0 SMALL GASTEIGER @ATOM 1 S 3.2055 -0.8985 0.3622 S.3 1 UNL1111111111 -0.0067 2 S 4.7130 0.0144 -0.5431 S.3 1 UNL1111111111 0.1358 3 O 0.6654 -0.8256 0.3144 O.3 1 UNL1111111111 -0.3880 4 O -5.5144 -0.6534 -0.2524 O.2 1 UNL1111111111 -0.4043 5 O -5.1495 1.4487 0.0249 O.2 1 UNL1111111111 -0.4022 6 O 1.5608 1.0983 -0.4984 O.2 1 UNL1111111111 -0.4439 7 N -4.7647 0.2948 -0.0801 N.pl3 1 UNL1111111111 0.6334 8 C -0.6451 -0.4464 0.1761 C.ar 1 UNL1111111111 0.2918 9 C -3.3386 0.0362 0.0077 C.ar 1 UNL1111111111 -0.1290 10 C -1.5105 -1.5271 -0.0447 C.ar 1 UNL1111111111 -0.2387 11 C -1.0974 0.8647 0.3141 C.ar 1 UNL1111111111 -0.2563 12 C -2.8723 -1.2785 -0.1263 C.ar 1 UNL1111111111 -0.0407 13 C -2.4637 1.1060 0.2255 C.ar 1 UNL1111111111 -0.0326 14 C 1.6886 0.0053 -0.0398 C.2 1 UNL1111111111 0.5123 15 C 5.2188 1.4541 0.4253 C.3 1 UNL1111111111 -0.5339 16 H -1.1093 -2.5350 -0.1447 H 1 UNL1111111111 0.1861 17 H -0.4037 1.6892 0.4836 H 1 UNL1111111111 0.1954 18 H -3.5805 -2.0981 -0.2953 H 1 UNL1111111111 0.1890 19 H -2.8539 2.1261 0.3262 H 1 UNL1111111111 0.1900 20 H 6.1175 1.8798 -0.0466 H 1 UNL1111111111 0.1834 21 H 5.4743 1.2144 1.4644 H 1 UNL1111111111 0.1760 22 H 4.4549 2.2441 0.4369 H 1 UNL1111111111 0.1831 @BOND 1 1 2 1 2 1 14 1 3 2 15 1 4 3 8 1 5 3 14 1 6 4 7 2 7 5 7 2 8 6 14 2 9 7 9 1 10 8 10 ar 11 8 11 ar 12 9 12 ar 13 9 13 ar 14 10 12 ar 15 10 16 1 16 11 13 ar 17 11 17 1 18 12 18 1 19 13 19 1 20 15 20 1 21 15 21 1 22 15 22 1