CHEMBRIDGE-ZINC01184214 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 1.2210 1.4230 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 -0.0400 0.2540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -0.6930 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -0.1270 2.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -2.1530 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -3.0720 1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -4.4840 1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -5.4830 2.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -6.8050 2.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -7.1490 0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -6.1610 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -4.8360 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -8.4550 0.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -8.7380 -0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -10.2280 -1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 -10.8370 -1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -12.2030 -1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -12.9600 -1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -12.3520 -1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 -10.9850 -1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 -14.4240 -1.7280 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6750 -14.9600 -1.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 -15.0910 -1.7970 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3360 -2.4410 -0.4550 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 -0.7230 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 -0.2550 -1.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 1.7250 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 1.8070 -0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 1.8250 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -2.7640 2.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -5.2170 3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -7.5770 2.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -6.4340 -1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -4.0690 -0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -8.2530 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -8.3630 -1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 -10.2450 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 -12.6790 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6390 -12.9430 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 -10.5080 -1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END