@MOLECULE DB02963 32 34 1 SMALL USER_CHARGES @ATOM 1 Cl1 -0.8553 -3.2249 -1.2618 Cl 1 noname -0.0332 2 C1 0.0617 -2.3033 -0.1867 C.2 1 noname 0.0778 3 N1 -0.5397 -1.7501 0.9247 N.2 1 noname -0.2294 4 C2 1.4512 -2.1032 -0.4349 C.2 1 noname 0.0123 5 C3 0.1921 -1.0074 1.7940 C.2 1 noname 0.0397 6 C4 2.1703 -1.3147 0.5115 C.2 1 noname -0.0073 7 N2 1.5085 -0.7961 1.5929 N.3 1 noname -0.0666 8 C5 -0.1869 -0.3622 2.9599 C.2 1 noname 0.0442 9 N3 3.4796 -1.0836 0.3444 N.3 1 noname -0.0012 10 N4 1.9768 -0.0684 2.5454 N.2 1 noname -0.3032 11 C6 0.9888 0.2294 3.4125 C.2 1 noname 0.0308 12 C7 3.6476 0.0345 -0.3747 C.2 1 noname 0.0040 13 C8 4.9289 0.4795 -0.6785 C.2 1 noname -0.0341 14 C9 2.5405 0.7494 -0.8169 C.2 1 noname -0.0341 15 C10 5.1031 1.6394 -1.4245 C.2 1 noname 0.0122 16 C11 2.7148 1.9092 -1.5629 C.2 1 noname 0.0122 17 C12 3.9961 2.3542 -1.8667 C.2 1 noname -0.0120 18 S1 4.2130 3.7978 -2.7952 S 1 noname -0.0380 19 O1 5.7667 4.0829 -2.9765 O.2 1 noname -0.1973 20 O2 3.5344 5.0210 -2.0394 O.2 1 noname -0.1973 21 C13 3.4480 3.5922 -4.4115 C.3 1 noname 0.0505 22 H1 1.9413 -2.5334 -1.3083 H 1 noname 0.0686 23 H2 -1.1771 -0.3280 3.4142 H 1 noname 0.0676 24 H3 4.2245 -1.6626 0.7048 H 1 noname 0.1355 25 H4 1.1165 0.8344 4.3102 H 1 noname 0.0857 26 H5 5.7970 -0.0810 -0.3318 H 1 noname 0.0639 27 H6 1.5357 0.4004 -0.5787 H 1 noname 0.0639 28 H7 6.1079 1.9883 -1.6628 H 1 noname 0.0639 29 H8 1.8467 2.4698 -1.9097 H 1 noname 0.0639 30 H9 3.3439 2.5297 -4.6317 H 1 noname 0.0430 31 H10 2.4641 4.0611 -4.4101 H 1 noname 0.0430 32 H11 4.0730 4.0611 -5.1716 H 1 noname 0.0430 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 1 7 5 8 2 8 6 9 1 9 6 7 1 10 7 10 1 11 8 11 1 12 9 12 1 13 10 11 2 14 12 13 2 15 12 14 1 16 13 15 1 17 14 16 2 18 15 17 2 19 16 17 1 20 17 18 1 21 18 19 2 22 18 20 2 23 18 21 1 24 4 22 1 25 8 23 1 26 9 24 1 27 11 25 1 28 13 26 1 29 14 27 1 30 15 28 1 31 16 29 1 32 21 30 1 33 21 31 1 34 21 32 1 @SUBSTRUCTURE 1 noname 1