IFLAB-ZINC02454582 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 31 0 0 0 0 0 0 0 0999 V2000 0.2330 1.5670 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 0.0730 -0.3110 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2820 -0.0510 -1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 -0.6090 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -0.4770 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -1.9080 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 -2.4770 -0.1610 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.1520 -2.5530 1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9340 -1.6370 -0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 -3.9380 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1600 -4.7380 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1940 -4.4130 -0.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 1.9220 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 2.0340 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 1.7610 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -0.5030 1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 -1.6600 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 -0.1330 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -0.4300 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 0.2130 -0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -1.9350 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -2.6100 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1260 -1.5400 1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1460 -2.9730 1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -3.1770 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 -1.5900 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9130 -2.0930 -0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 -0.6380 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 -3.8200 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 -4.4860 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 -5.9330 -1.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9100 -6.3910 -1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 31 32 1 0 0 0 0 M CHG 1 2 1 M CHG 1 7 1 M END