IBS-ZINC03985224 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.4380 0.4540 0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 -0.7860 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.6900 -1.1770 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -0.1580 -2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 0.4950 -2.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -0.4750 -3.5330 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5100 -0.2370 -3.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 -0.7480 -1.8560 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7650 -0.8480 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -1.0850 -0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 -1.6310 0.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 0.4170 -3.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 0.2700 -4.8280 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3680 0.3590 -4.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 -0.3820 -6.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 0.2680 -7.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -0.7050 -8.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 -0.6650 -9.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0010 -1.8450 -10.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 -3.0570 -9.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 -3.1230 -8.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 -1.9330 -7.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 -1.7070 -6.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -2.4340 -5.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 -1.6680 -11.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8790 -2.8290 -12.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 1.7400 -7.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.4300 -6.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 0.5980 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 1.3540 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 0.3620 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -1.6700 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -0.9160 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -1.5570 -3.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1960 0.2770 -9.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 -3.9850 -10.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 -4.0710 -7.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9360 -3.2930 -12.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4090 -2.5180 -12.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5170 -3.5440 -11.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 1.9310 -6.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 2.1620 -8.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 3.4590 -5.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 2.4310 -6.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 1.7050 -4.7850 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7240 2.2400 -4.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 1.6610 -4.4930 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 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 45 1 0 0 0 0 15 16 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 27 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 35 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 M CHG 1 45 1 M END