IBS-ZINC02209323 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 -2.5710 0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 -2.8390 -1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 -3.3060 -0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7820 -3.6630 -1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4920 -3.5440 -2.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4440 -3.8860 -3.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1300 -3.7580 -5.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8720 -3.2900 -5.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9300 -2.9500 -4.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2150 -3.0680 -3.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 -2.7370 -2.3930 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0500 -4.0900 -6.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6630 -3.9340 -7.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7190 -3.2920 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -2.8620 1.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7320 -3.6740 1.7160 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5260 -3.6110 3.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4580 -3.2200 3.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5980 -4.0150 3.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8240 -4.4640 3.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8220 -4.8410 4.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6120 -4.7750 5.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3960 -4.3300 6.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3850 -3.9560 5.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1950 -4.2670 7.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2790 -4.6740 8.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7440 -4.0220 -1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4180 -4.2490 -3.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 -3.1960 -6.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9640 -2.5910 -5.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4120 -2.8900 -7.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7940 -4.5590 -7.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4870 -4.2320 -8.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5840 -3.9860 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9920 -4.5160 2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7710 -5.1880 3.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3970 -5.0710 6.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4360 -3.6140 5.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1460 -4.0440 8.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5300 -5.7140 8.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9870 -4.5750 9.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 15 2 0 0 0 0 7 8 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 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 50 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 M END