IBS-ZINC02194909 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.1170 1.6290 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 0.1200 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 -0.0410 -2.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -0.2770 -3.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 -1.6100 -3.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -2.3090 -2.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 -3.5460 -2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 -3.3760 -4.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -2.1450 -4.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 -1.4350 -5.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -0.8460 -6.9950 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 -3.9420 -5.7960 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -5.2160 -5.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4950 -5.5660 -7.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2070 -6.7480 -7.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -7.0420 -8.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 -6.1570 -9.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -5.0050 -9.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2490 -4.6870 -8.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -4.3030 -1.2310 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -5.6490 -1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7810 -6.3610 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 -7.6950 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 -7.7360 1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -6.4290 2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 -5.5840 1.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -1.7710 -1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 2.0000 0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 2.1400 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 1.9160 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -0.3480 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -0.2600 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 0.9970 -2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -0.7090 -2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.2020 -4.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 0.5170 -3.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 -3.5160 -6.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8010 -5.1600 -5.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 -6.0080 -5.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3910 -7.4330 -6.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2460 -7.9570 -8.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8080 -6.3620 -10.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 -4.2810 -10.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -3.9820 -0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 -6.2460 -2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9230 -5.6090 -1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 -8.5360 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 -8.6100 2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 -5.9590 3.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -2.3390 -0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 -1.8370 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 -0.3070 -1.1590 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4450 0.2260 -1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 -4.0520 -3.5150 N 0 0 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 31 1 0 0 0 0 2 32 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 20 1 0 0 0 0 7 54 2 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 8 54 1 0 0 0 0 9 10 1 0 0 0 0 10 11 3 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 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 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END