CHEMBRIDGE-ZINC00475360 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 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 -4.1600 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -4.5000 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -3.1200 -0.0600 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 -4.6170 -4.2610 -0.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1120 -2.4640 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2450 -3.2790 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4900 -2.6860 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6180 -1.3750 -0.3370 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5770 -0.5710 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2960 -1.0780 -0.1490 C 0 0 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 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1470 -4.3540 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3700 -3.3070 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7280 0.4980 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4480 -0.4140 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 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 22 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 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 25 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 M END