IBS-ZINC05207524 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 1.5290 1.5650 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 0.1220 1.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -0.6130 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 -0.0630 0.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -2.0860 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -2.8500 0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -4.2240 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -4.8520 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 -4.0950 1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 -2.7200 1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -6.2440 1.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -6.9820 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -6.4370 -0.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -8.4830 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -9.0480 -0.6570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -9.3780 -1.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -9.2130 -1.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -9.9450 -2.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -10.3110 -4.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 -10.8370 -5.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 -11.0020 -4.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9030 -10.6430 -3.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 -10.1130 -2.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6910 -9.7400 -1.5050 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6440 -9.8500 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 -9.2330 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 -8.9230 0.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 1.8900 1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 2.0350 1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 1.8540 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -2.3630 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -4.8150 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -4.5860 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 -2.1330 1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -6.6820 1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 -8.8730 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 -8.7600 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -10.1830 -4.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -11.1220 -6.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9100 -11.4150 -5.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9670 -10.7750 -3.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 M END