IBS-ZINC00171188 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.3800 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 1.5210 1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 0.8490 1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0310 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 -0.1090 -1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 0.5660 -1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 -0.6520 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -0.0500 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 1.1380 -0.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8470 -1.1690 -0.1120 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5110 -1.0610 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0260 -2.3850 0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7440 -1.9810 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 -3.0490 0.2130 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 -1.1960 -1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7400 -2.2340 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8580 -2.8860 -0.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9030 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 2.1570 1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7600 0.9600 1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.7440 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 0.4580 -1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3480 -3.2990 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9920 -1.4430 -2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -0.2160 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5760 -2.4350 -2.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2570 -3.1110 -2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 18 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 26 27 1 0 0 0 0 M END