IBS-ZINC04137467 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4380 -4.6480 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -4.8200 -0.2760 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2240 -5.6150 -1.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -5.5040 -1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -6.0220 -2.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -4.7580 -1.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 -4.4620 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1460 -5.5400 -0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9290 -4.0070 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3960 -6.3700 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -6.2190 -2.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7870 -5.7130 0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 -6.2730 1.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2190 -5.9040 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1810 -5.2600 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5210 -5.4420 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9190 -6.2620 1.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9730 -6.9070 2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6240 -6.7360 2.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3710 -7.7110 3.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7790 -7.8460 3.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 -4.4450 -2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -3.4890 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 -5.5560 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 -6.5120 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6940 -4.1190 1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3590 -3.1750 -0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9950 -3.8110 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1650 -7.2560 -0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1770 -6.5680 0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4520 -6.1240 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -4.0000 -0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8740 -4.6180 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2630 -4.9440 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9710 -6.4010 1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8870 -7.2410 2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2100 -6.8680 3.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2400 -8.2610 2.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9590 -8.5130 4.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5780 -5.2430 -0.6690 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 19 2 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 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 55 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 55 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 55 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 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 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 M END