CHEMBRIDGE-ZINC04990852 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 0 0 0 0 0 0999 V2000 1.7170 -2.9840 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -2.2130 1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 0.0470 2.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -0.1750 1.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.2110 2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 1.2840 2.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6930 1.9870 3.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 3.3540 3.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 4.0980 2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8200 3.4120 1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 2.0530 0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.8090 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 3.0320 -1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 3.9910 -0.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 3.5070 -2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 0.5690 -1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -0.1650 -0.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6220 0.1540 -2.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 0.4060 -2.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5450 -0.0140 -3.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7840 -0.6970 -4.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 -0.9720 -4.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -0.5460 -3.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -1.7100 -5.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4400 -1.1310 -6.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 1.2820 4.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 -2.8580 1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 -4.0550 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 -2.6840 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -2.4880 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -2.4430 3.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 1.1150 2.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -0.2660 3.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 0.5080 2.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 0.0170 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -1.1900 1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 -0.6700 1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 -0.6320 3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1280 3.8620 4.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 5.1600 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 4.5620 -2.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 3.4040 -2.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 2.9410 -3.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 0.9170 -1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5980 0.1940 -4.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -0.7560 -3.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 -2.7000 -5.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -1.8590 -5.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -1.1430 -6.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4320 -2.2230 -6.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 -0.6970 -6.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4840 -0.8040 -6.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 1.8720 5.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -0.7110 1.8050 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7990 -0.5080 0.7730 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 30 1 0 0 0 0 2 31 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 54 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END