IBS-ZINC02095397 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 0 0 0 0 0 0999 V2000 -0.0580 1.6910 -0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 0.3040 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 0.4180 1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 -0.3430 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 0.3590 -0.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 -1.7310 -0.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8130 -2.3630 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0220 -3.2840 1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -3.6200 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -2.6730 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 -5.2800 2.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 -6.5260 2.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 -7.4690 3.2900 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 -8.6720 3.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -9.5580 4.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 -9.2830 5.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 -8.2560 5.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 -10.2590 6.4360 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 -11.4380 6.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 -12.2550 7.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 -11.6480 5.5970 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 -10.7860 4.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 -11.0000 3.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -12.8850 5.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 -10.0550 7.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 2.1280 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 1.6310 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 2.3790 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 -0.3000 -0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 0.8540 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 1.0530 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -0.5560 1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 -1.6180 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 -2.9390 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0080 -2.7250 2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9640 -3.8340 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -4.3910 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -3.0740 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -3.2510 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -2.1660 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 -5.5800 2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 -4.7260 3.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 -7.0070 1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -6.2450 2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 -7.2640 3.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -8.8670 2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -13.7320 5.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -12.9940 4.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -12.9040 6.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0350 -9.1150 7.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2070 -10.8860 7.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0370 -10.0620 8.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -4.3190 1.1720 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9360 -4.8600 0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 8 53 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 9 53 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 14 15 2 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END