CHEMBRIDGE-ZINC01158317 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 -0.8150 1.6420 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 0.4440 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -0.3700 0.9280 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1090 -1.3850 1.9280 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6610 -1.5310 2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -1.8680 0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 -2.5090 0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0550 -1.8830 1.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 -3.7750 0.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 -4.3280 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -2.4290 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 -1.6850 -1.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -3.7560 -0.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -4.2250 -1.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -1.5060 2.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -2.6260 1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 -2.7370 1.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 -1.7290 2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4970 -0.6090 2.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 -0.5000 2.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6090 -1.8470 2.3420 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.1740 -2.8330 1.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2550 -0.9580 2.8680 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9340 0.3520 1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 0.6640 2.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 0.6790 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0020 1.5220 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9280 1.8240 -0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.2960 -1.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7300 0.4600 -1.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 0.1450 -1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7060 1.5970 -2.6340 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 2.2540 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5110 2.2380 0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 1.2880 1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -0.1840 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 0.7970 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 -4.3120 1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 -5.3550 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 -3.7300 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -3.9070 -1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 -3.8080 -2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -5.3140 -1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 -3.4140 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9050 -3.6120 1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0700 0.1790 3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 0.3720 3.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1060 1.9340 1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7590 2.4750 -0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 0.0520 -2.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -0.5100 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 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 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 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 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 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 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END