IBS-ZINC01808367 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -3.9980 1.7610 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3170 0.3760 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3880 -0.2230 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7920 -0.5510 2.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6340 -1.9770 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2120 -2.3700 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -3.7820 0.8640 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 -4.8130 1.8940 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0270 -4.6500 2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0010 -6.1730 1.1520 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5210 -5.7670 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 -4.2840 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 -3.6870 -1.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 -6.5160 -1.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3730 -6.8050 1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3860 -6.1170 0.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5040 -8.2850 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7360 -8.8290 1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9110 -10.2140 1.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8570 -11.0490 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 -10.5230 0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4540 -9.1370 0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 -12.3780 1.2350 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9690 -4.7280 2.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -4.2700 2.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -4.2460 3.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -4.6840 4.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -5.1560 5.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 -5.1760 4.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 -5.6510 4.5300 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5430 2.3690 -0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 2.2840 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 1.7060 1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0380 0.4030 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 -0.0960 -0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9410 -0.8140 0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5690 0.8390 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2140 0.0400 3.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8510 -0.3170 2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6500 -1.6090 2.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8200 -2.1720 -0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3580 -2.5550 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 -1.7970 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0530 -2.1560 2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 -6.8470 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5680 -8.1820 1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8610 -10.6430 1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 -11.1960 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 -8.7600 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -3.9280 1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 -3.8880 3.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -4.6650 5.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 -5.5130 6.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 -0.4940 0.9330 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.4300 -0.2330 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 54 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END