IBS-ZINC04084661 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 52 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8350 -1.5960 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.1300 2.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 0.8340 3.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 -0.8590 2.8580 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -0.4890 4.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0010 -1.4720 4.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 -2.4900 4.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 -1.1610 5.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8620 -2.1450 5.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8570 -2.0120 4.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2470 -0.9950 4.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1500 -2.3230 3.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 -1.3400 3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9930 -2.9810 4.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0060 -3.7070 5.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9950 -3.0420 3.9380 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1000 -3.9840 4.1340 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.3140 -4.0760 5.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7090 -5.3520 3.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3250 -3.4770 3.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2800 -2.4360 2.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.5870 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 -1.6300 2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -0.5200 4.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 0.5190 3.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -1.2560 6.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0990 -0.1440 5.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4720 -3.1620 5.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3660 -1.9230 6.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7590 -3.3410 3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8580 -2.2290 2.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3860 -0.3220 3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4920 -1.5610 2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9850 -2.4610 3.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4950 -5.2600 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8230 -5.7180 4.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5310 -6.0530 3.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 1.0990 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4660 -4.1830 3.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 0.0930 1.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 -0.2750 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2250 -3.8180 2.9840 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 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 50 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 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 48 50 1 0 0 0 0 49 52 1 0 0 0 0 50 51 1 0 0 0 0 M END