IFLAB-ZINC04170215 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 1 0 0 0 0 0999 V2000 -0.1510 1.3780 -0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 0.1550 -1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -0.4400 -1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 0.1870 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 1.4090 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 2.0040 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 -0.4950 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8360 0.1300 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1190 -0.5430 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0100 -1.9210 -0.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3060 0.0670 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5330 1.5270 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0060 1.7700 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5310 2.8700 0.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6130 0.5370 0.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6800 -0.5820 0.1570 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8220 -1.1510 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9340 -1.4580 1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4710 -2.7430 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7370 -3.5280 2.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4660 -2.9990 3.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9590 -1.7640 3.7670 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6950 -1.0280 2.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0590 0.3820 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7700 0.6130 1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9560 0.3740 2.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4730 0.3710 2.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9200 1.5990 1.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3480 1.8050 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8230 1.8820 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7170 2.4250 0.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 1.8410 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -0.3370 -2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 -1.3940 -1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 1.9100 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 2.9540 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 -1.5810 -0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8490 1.2130 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6900 -3.1440 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1470 -4.5270 2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6570 -3.5700 4.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2830 -0.0460 2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2850 -0.6120 -0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3990 1.1180 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4910 1.5660 1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5150 -0.1930 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6050 -0.5880 2.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6350 1.1910 3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9620 0.2670 3.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7980 -0.4680 1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7450 2.7460 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6720 1.0020 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5010 2.7110 1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3900 1.9800 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7780 -2.3610 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2800 0.6010 1.1860 N 0 3 0 0 0 0 0 0 0 0 0 0 13.5420 -0.1910 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 55 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 31 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 56 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END