IBS-ZINC02241174 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 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 -2.3720 0.1020 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 -0.5370 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 -1.9090 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4960 -2.6740 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -2.0290 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -2.7550 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -3.1140 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8780 -4.0950 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0970 -5.0250 -0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2170 -4.2160 0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8130 -2.8900 0.0340 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4310 -2.7500 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6200 -2.7130 1.2440 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9420 -2.2830 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8020 -1.9320 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0930 -1.5310 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5490 -1.4750 1.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7100 -1.8210 2.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4070 -2.2250 2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2790 -2.6520 3.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2640 -2.7500 4.7350 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1020 -3.1740 5.3920 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0860 -3.2740 6.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0810 -2.9960 7.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8630 -3.7200 7.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 -3.8250 8.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -4.2410 9.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 -4.5580 8.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 -4.4550 7.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 -4.0450 6.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 -4.9670 9.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1770 -2.9500 2.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0650 -3.3380 2.7940 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 -2.3260 1.1810 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5110 0.0460 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -2.2100 1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -3.7140 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 -3.6900 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4580 -1.9710 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7550 -1.2590 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5610 -1.1600 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0640 -1.7770 3.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 -3.3950 4.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7270 -3.5780 9.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 -4.3230 10.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -4.7010 6.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 -3.9700 5.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 -5.9240 9.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 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 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 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 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 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 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 35 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 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 35 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 32 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 34 54 1 0 0 0 0 35 36 2 0 0 0 0 M END