IBS-ZINC02090630 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7430 -0.5130 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -0.0400 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 -0.5100 -0.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 -0.0270 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -0.5000 -1.2520 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7000 -1.5890 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -0.8140 -3.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 -0.2250 -4.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 0.8030 -4.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -0.5000 0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -0.1200 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -1.6030 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 1.0490 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 -0.4360 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 1.0620 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7170 -0.4130 -2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -1.8110 -3.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -0.8790 -3.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 -0.2270 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 0.0440 -2.4480 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 0.1730 -2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -0.8440 -6.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -0.4280 -6.7520 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 7 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 12 24 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 M END