IBS-ZINC01243625 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 0 0 0 0 0 0999 V2000 -1.7510 0.8580 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -0.5300 0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -1.3840 1.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 -2.6660 1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -3.0930 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 -2.2390 -0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -0.9600 -0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 -4.7090 -0.2630 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -4.6730 -1.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 -5.1210 0.8740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -5.6860 -0.3150 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 -5.4820 -1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 -6.7040 -1.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 -7.1410 0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 -5.9070 0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6530 -8.1060 -0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7330 -7.9020 0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9800 -6.7560 1.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3170 -9.0670 1.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2130 -8.9690 2.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8320 -10.0300 2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6510 -11.4120 1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7740 -9.8620 3.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3780 -8.6160 3.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2350 -8.4610 4.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5150 -9.4440 5.7880 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9080 -10.6330 5.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0330 -10.8920 4.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 1.5500 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 1.1990 0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 0.8910 1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -1.0490 2.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -3.3110 2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 -2.5500 -2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 -0.2920 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 -4.5810 -1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -5.3580 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 -6.5260 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 -7.6100 -1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -8.0460 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2790 -7.2770 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -6.0820 1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -5.0250 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1130 -9.0500 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1180 -8.0590 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0920 -9.9780 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6720 -11.8040 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4270 -12.1090 2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7130 -11.3620 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1890 -7.7830 3.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7320 -7.5150 5.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1460 -11.3980 6.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5660 -11.8670 4.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6470 -6.9650 -0.3220 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2330 -6.1380 -0.0990 H 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 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 54 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 54 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 54 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END