IBS-ZINC02131929 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 57 0 0 0 0 0 0 0 0999 V2000 0.3880 0.5070 3.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -0.6380 2.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -1.9740 2.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -3.1250 1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -1.5360 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.3780 0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -3.9830 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 -3.9460 -1.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3550 -3.4910 -1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3770 -3.5020 -2.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 -3.9850 -3.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 -4.4410 -3.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -4.4310 -2.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -4.9420 -3.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -5.3000 -4.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -5.8160 -5.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -6.2240 -6.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -7.2710 -7.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -7.6790 -8.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -7.0320 -9.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -6.0200 -9.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -5.5950 -7.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -5.5220 -10.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8370 -6.3340 -11.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -7.2970 -10.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 -4.9960 -4.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8850 -5.1490 -6.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6070 -3.0050 0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 0.6140 3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 1.4560 2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 0.3350 4.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -0.6940 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 -1.9100 3.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -2.1890 3.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -4.0440 2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7160 -3.2920 1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -1.6760 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -1.3680 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 0.5400 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 -0.2170 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -3.9950 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -4.8960 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3740 -3.1360 -1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 -4.0030 -4.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -5.9450 -4.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 -7.7730 -6.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -8.4770 -8.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -4.7940 -7.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 -6.8690 -11.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -5.6760 -11.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 -2.8180 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 -2.8110 0.5030 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0300 -2.6840 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 32 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 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 52 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 52 1 0 0 0 0 6 39 1 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 7 42 1 0 0 0 0 7 52 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 45 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 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 26 27 2 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END