IBS-ZINC01896822 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.0400 0.3820 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 -0.9910 0.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7350 -1.2750 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 -0.2550 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0170 -0.5460 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4420 -1.8530 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 -2.8760 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 -2.5920 0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -3.5970 0.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0290 0.5650 0.0950 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5610 1.5220 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6020 0.5980 -1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9830 0.3780 -1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2810 0.2100 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3850 0.0050 0.7480 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1520 0.3200 1.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0610 0.2150 2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2030 -0.0200 3.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1100 -0.1230 4.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8830 0.0080 5.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7440 0.2430 4.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8290 0.3400 3.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7690 -0.1240 6.9020 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5900 0.5730 7.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0570 0.1920 7.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5040 -1.7200 7.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7940 0.3340 -2.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9100 0.8030 -2.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 1.1370 -2.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5970 0.6560 -3.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5130 1.6700 -4.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1590 1.5250 -5.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8890 0.3800 -6.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9780 -0.6280 -5.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3330 -0.5000 -4.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 0.4690 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 0.7650 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 0.9590 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 0.7670 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4990 -2.0760 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8530 -3.8960 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 -3.7960 1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1620 -0.1220 2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9970 -0.3060 5.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7880 0.3450 4.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9390 0.5190 2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4410 -2.3720 6.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4110 -2.0020 8.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 1.2600 -3.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9440 2.5650 -4.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0950 2.3080 -6.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3920 0.2720 -7.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5500 -1.5180 -5.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3990 -1.2900 -3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 28 2 0 0 0 0 13 14 1 0 0 0 0 13 27 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 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 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 50 1 0 0 0 0 32 33 1 0 0 0 0 32 51 1 0 0 0 0 33 34 2 0 0 0 0 33 52 1 0 0 0 0 34 35 1 0 0 0 0 34 53 1 0 0 0 0 35 54 1 0 0 0 0 M END