IFLAB-ZINC04304781 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -0.4970 1.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -0.5200 -0.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -0.4240 -1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 -0.5930 -1.5910 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -0.9090 -2.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 -1.1880 -3.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 -1.4800 -4.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 -1.5010 -5.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -1.2280 -4.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 -0.9310 -3.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -0.6250 -2.6910 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 -0.5320 -2.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 0.8790 -3.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 1.7240 -3.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7980 1.2020 -3.6880 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 2.5740 -4.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 2.5300 -5.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0800 1.5830 -5.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5880 0.1720 -4.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 0.1880 -3.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8360 1.5630 -6.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0830 0.7280 -6.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2670 1.3180 -6.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4100 0.5530 -5.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3700 -0.8030 -6.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1850 -1.3930 -6.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0430 -0.6260 -6.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 -1.1730 -2.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5770 -1.6950 -5.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 -1.7330 -6.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -1.2460 -5.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -1.2130 -3.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -0.8040 -2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7950 3.0180 -3.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 3.1680 -4.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2310 3.5300 -5.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 2.1700 -6.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7450 1.9290 -4.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4400 -0.5070 -4.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9030 -0.1660 -5.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 -0.7920 -3.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 0.4330 -2.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1100 2.5800 -6.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1990 1.1340 -7.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2990 2.3770 -5.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3360 1.0140 -5.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2630 -1.4010 -6.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1530 -2.4520 -6.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1180 -1.0870 -7.0910 H 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 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 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 51 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 M END