NIH-ZINC04388435 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 66 0 0 1 0 0 0 0 0999 V2000 1.0640 0.2490 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 0.2350 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.4370 -1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -0.5440 -0.0400 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9410 -1.5890 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 0.0440 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 0.8170 1.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -0.2880 2.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 0.1960 3.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -0.3210 4.8510 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7990 -1.4060 4.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 0.1050 6.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 0.4190 7.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 0.1450 6.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 0.2930 4.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 -0.4580 -1.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6890 0.8510 -1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 1.2000 -2.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 0.9910 -4.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 1.4660 -4.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 1.9360 -4.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 1.7770 -2.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 -1.5840 -1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 -2.6670 -1.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8630 -1.4950 -2.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2930 -2.8450 -3.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6950 -3.0600 -3.8580 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.8130 -4.4570 -4.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6920 -2.2960 -3.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4630 -2.3120 -5.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 -3.0540 -6.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7680 -2.4680 -7.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0990 -1.1370 -7.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6120 -0.3950 -6.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7980 -0.9840 -5.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9210 -0.5630 -9.1240 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 0.7360 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 0.7960 1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -0.7750 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 1.2580 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -1.4720 -1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -0.4100 -2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 0.0940 -2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -0.8480 2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 1.2860 3.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 -0.1650 3.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 0.9940 6.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 -0.7100 6.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 1.4630 7.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -0.2410 7.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 0.8720 6.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -0.8680 6.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7570 0.8170 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4960 1.6060 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3010 0.5460 -4.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 1.4520 -6.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 2.3700 -4.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7150 -0.9370 -2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 -0.9850 -3.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7570 -3.6120 -2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6920 -4.0920 -6.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3680 -3.0480 -8.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8700 0.6430 -7.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2020 -0.4060 -4.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 40 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 9 46 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 47 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 20 21 2 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 21 57 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 27 28 2 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 61 1 0 0 0 0 32 33 1 0 0 0 0 32 62 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 M END