CHEMBRIDGE-ZINC00369011 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 -0.0210 1.4270 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.0020 -0.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -0.6320 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 0.0170 -0.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -2.0450 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 -2.8000 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 -4.1590 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -4.5000 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -3.1200 -0.0610 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6780 -2.2520 0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7570 -3.0540 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6180 -4.2620 -0.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1100 -2.4660 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2290 -3.2940 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4880 -2.7380 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6440 -1.3630 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5380 -0.5370 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2740 -1.0790 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9980 -0.7740 -0.4380 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.9730 -1.4990 -0.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1380 0.4360 -0.4300 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0010 1.8050 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 1.7750 -0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 1.7910 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9410 -4.8930 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 -5.5170 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7930 -1.2920 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1090 -4.3670 -0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3550 -3.3780 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6660 0.5360 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4120 -0.4330 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 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 9 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END