IBS-ZINC00754221 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 50 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 0.1160 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 -0.4740 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6730 -1.8490 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 -2.6360 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -2.0360 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -2.7760 -0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -3.1420 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 -4.0460 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 -4.9850 0.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2220 -4.1460 -0.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8170 -2.8050 0.0850 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3260 -2.7520 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7850 -2.6040 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1790 -3.6070 -1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1100 -3.0260 -2.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8330 -3.5710 -3.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6380 -2.7110 -4.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7360 -1.3660 -4.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0310 -0.8010 -3.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2060 -1.6500 -2.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3880 -1.4320 -1.4220 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2550 -0.5750 -0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7190 -5.0410 -1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0350 -5.3200 -0.4610 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3960 -6.1990 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0760 -5.5450 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1380 -4.8010 1.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 1.1930 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5210 0.1230 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -2.2410 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -3.7330 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -3.7290 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7630 -4.6180 -4.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2120 -3.0950 -5.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3850 -0.7370 -4.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1170 0.2490 -2.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5800 -5.7020 -1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0150 -5.2310 -2.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9350 -6.5710 0.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5850 -6.6750 1.2070 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 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 26 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 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 29 45 1 0 0 0 0 45 46 1 0 0 0 0 M END