IBS-ZINC05120111 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 0.3690 1.5040 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 0.0250 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.4610 -1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 -0.9310 -1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 -1.5520 -2.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -1.6680 -3.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8680 -1.9880 -2.2910 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5690 -1.8660 -1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 -2.2800 -1.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -1.3130 -0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 -0.8280 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 -0.3230 1.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -1.2280 1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6840 0.0740 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6050 0.8900 2.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -0.4380 -2.3750 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 -1.1770 -2.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 -2.0450 -1.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 -2.7770 -1.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 -2.6530 -2.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 -1.7850 -3.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9760 -1.0410 -3.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9910 -1.6500 -4.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 -0.8940 -5.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1270 -2.3650 -5.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9030 -2.1820 -6.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 1.6280 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 2.0830 -0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 1.8560 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -0.5530 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -0.0980 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 -2.3990 -3.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3030 -1.2750 2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 -2.0600 1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2930 0.3330 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9960 0.6300 3.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1490 1.8230 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 0.0910 -3.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -2.1470 -0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0390 -3.4500 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4400 -3.2280 -2.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6780 -0.3640 -4.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7900 -2.8150 -6.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2050 -1.1380 -6.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2970 -2.4560 -7.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 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 10 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 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 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M END