IBS-ZINC05032264 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0740 1.6620 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 0.1450 0.0300 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5910 -0.1900 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 0.0920 1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7790 0.2900 2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1370 0.5460 2.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7970 0.6070 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1010 0.4120 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 0.1560 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 -0.0460 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 0.1700 -2.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -0.4840 -1.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -0.3710 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 -0.5270 1.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -0.6580 -1.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3560 -1.2380 -1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2580 -0.9290 -2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5100 -1.5000 -2.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8760 -2.3920 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9680 -2.7000 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7150 -2.1290 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2170 -3.0050 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0050 -2.7360 -2.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 2.0340 -0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 1.9000 -1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 2.1320 0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 0.4160 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -1.2440 1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 0.2440 3.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6860 0.7010 3.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8580 0.8070 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6140 0.4590 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 -0.4620 -1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9740 -0.2400 -2.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2090 -1.2590 -2.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2470 -3.3880 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 -2.3700 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5680 -3.8640 -0.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4570 -4.2410 -0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 38 39 1 0 0 0 0 M END