IBS-ZINC05490094 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3750 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -0.6920 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0210 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 1.4050 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 2.0820 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 3.5620 0.0060 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0910 4.1580 0.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 4.1840 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7430 -0.6690 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5790 -2.1200 -0.4790 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4910 -2.6790 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 -2.7330 0.2920 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5820 -2.5360 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -2.0840 -0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -2.6280 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 -3.9430 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -5.1150 0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 -4.8960 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 -4.2470 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2920 -2.1520 -1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -2.6420 -2.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9020 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5540 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9600 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4200 -0.1470 -0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 -0.6560 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -2.8170 1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 -1.9110 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4890 -4.0220 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -3.9580 -1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -5.2920 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -6.0030 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -4.2420 2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9440 -5.8540 1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -4.4950 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4190 -4.6250 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1770 -1.6380 -2.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 -1.6820 -3.7640 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END