IBS-ZINC04042896 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 0 0 0 0 0999 V2000 -0.8370 1.5510 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 1.7920 -1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 2.8690 -1.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 0.6500 -2.4100 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4860 0.0760 -2.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 0.4390 -3.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 0.1940 -3.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 1.0780 -4.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 1.0940 -3.8820 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9500 2.1200 -4.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 0.1720 -4.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 0.5230 -5.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 -0.3310 -5.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -1.5700 -6.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -1.9000 -6.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 -1.0560 -5.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -2.4200 -7.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 -2.0710 -7.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 -3.6890 -7.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 1.7060 -5.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 3.2200 -5.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0140 3.8990 -6.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0520 5.4170 -6.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6340 6.1340 -7.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6590 7.6630 -7.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1840 8.1470 -6.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 -0.5740 -1.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 0.5940 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 2.3420 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 1.5630 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 1.4650 -4.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 0.0060 -6.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -2.8400 -6.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 -1.3850 -4.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 -1.9400 -6.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7490 -2.8520 -8.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2950 -1.1530 -8.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -3.5320 -8.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1040 -4.2290 -8.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 -4.3480 -6.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6790 1.4580 -6.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2970 1.2830 -5.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0270 3.4390 -4.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 3.6440 -4.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4170 3.6540 -7.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0280 3.5200 -6.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 5.6590 -5.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0350 5.7830 -6.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 5.8800 -8.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6620 5.7920 -7.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 -0.1330 -2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1590 8.2560 -8.2970 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 51 1 0 0 0 0 5 6 1 0 0 0 0 5 27 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 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 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 M CHG 1 52 -1 M END