CHEMDIV-ZINC04885718 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 0.5070 1.3390 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -0.1660 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 -0.7900 0.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -0.8180 -0.1100 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 -0.1770 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 -1.3320 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 -2.5810 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -2.2080 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -3.1990 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 -4.5290 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -4.8910 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5370 -3.9140 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9690 -6.3460 -0.0420 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8850 -6.4780 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 -6.8030 1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0600 -8.3040 0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4650 -9.7780 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 -10.3940 2.2470 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8530 -10.2920 2.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 -8.8170 2.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6870 -11.7260 2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5790 -12.4880 3.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0020 -13.8030 3.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5350 -14.3610 2.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6440 -13.6020 1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2260 -12.2860 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9480 -15.6470 2.2600 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -7.1250 -0.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 1.6840 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 1.6640 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 1.7570 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 0.4790 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 0.3860 -1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7580 -1.2470 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 -1.3400 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -2.9230 0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -5.2910 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5690 -4.1950 -0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -6.7180 1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 -6.1750 1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1840 -7.8520 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6900 -7.7830 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5160 -9.8560 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8540 -10.2930 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 -10.7440 3.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -10.8130 1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 -8.3020 3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 -8.7400 2.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 -12.0540 4.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9180 -14.3960 4.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0590 -14.0390 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3160 -11.6930 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -7.0560 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 -8.2010 1.4020 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 54 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 54 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 28 53 1 0 0 0 0 M END