IFLAB-ZINC04464939 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 2.0950 1.4690 1.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 0.2430 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 -0.9670 1.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 -2.2190 1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -1.3340 -0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 -0.0800 -0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -3.8100 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -4.3830 -1.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 -4.2750 -1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5120 -4.8660 -2.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0710 -5.6020 -3.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7110 -5.7140 -3.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7910 -5.1240 -2.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -5.3720 -2.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -6.1530 -4.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 -6.6290 -4.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 -6.3740 -4.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 -7.4520 -4.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0760 -7.2260 -3.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5660 -5.9260 -3.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7100 -4.8470 -3.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -5.0710 -4.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8830 -5.8490 -3.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4420 -4.5470 -3.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -6.4080 -4.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -7.0480 -5.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0210 -3.5490 -0.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1610 1.2990 1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0010 2.3400 1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 1.7170 2.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 0.4750 0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 -1.1550 2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 -0.7540 2.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -3.0870 2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -2.1140 1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -1.2090 -1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 -1.5950 -1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 0.7620 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 -0.2170 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -3.6460 -1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -4.5220 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5820 -4.7610 -2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7710 -6.0680 -3.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -7.2620 -5.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 -8.4760 -4.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 -8.0730 -3.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 -3.8200 -3.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 -4.2140 -4.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4950 -4.6610 -2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9490 -3.9820 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4040 -4.0060 -4.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9920 -3.6430 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 -2.4850 0.0510 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6290 -2.6190 0.2310 H 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 3 1 0 0 0 0 2 6 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 53 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 53 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 7 53 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 27 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 25 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 25 1 0 0 0 0 16 17 1 0 0 0 0 16 44 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 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 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 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 27 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END