CHEMBRIDGE-ZINC03135852 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 -0.0740 1.6720 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 0.1930 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -0.2690 0.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 -1.5550 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -2.2710 0.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1260 -2.1060 0.5030 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7450 -1.5530 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -3.5850 0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5280 -4.1370 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1260 -4.0200 -0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0230 -2.6240 -0.9420 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7090 -1.9660 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1120 -1.9580 -1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0350 -0.7730 -1.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4000 -2.6670 -1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4320 -3.9520 -2.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6370 -4.6080 -2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8120 -3.9960 -1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7880 -2.7230 -1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5880 -2.0580 -1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0500 -2.0760 -0.8490 N 0 3 0 0 0 0 0 0 0 0 0 0 -12.1080 -2.6640 -0.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0290 -0.9550 -0.3730 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9590 2.0190 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 1.8000 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 2.2520 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -0.3870 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 0.0650 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 -4.1420 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 -3.6890 1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 -5.1840 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1340 -3.5640 1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5760 -4.6640 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1740 -4.3190 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8220 -0.9100 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0430 -2.4410 -1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5160 -4.4300 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6630 -5.6020 -2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7530 -4.5150 -1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5700 -1.0660 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 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 20 2 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END