IBS-ZINC06664550 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3820 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 1.1990 -0.6920 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 0.0100 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4150 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 2.0970 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6670 2.1290 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 3.3440 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8030 1.3980 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 0.0560 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8200 -0.5530 -0.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -0.6420 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 -1.6120 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0980 2.0830 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5550 2.3110 1.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 1.9380 2.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7280 2.9290 1.6130 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1870 3.1580 2.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5070 4.6470 3.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5070 5.0760 2.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8890 4.8720 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5760 3.3820 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8510 6.5320 2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3480 7.1610 3.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5520 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -1.7720 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 3.1760 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 1.4690 -0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9980 3.0420 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4020 2.8700 3.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0830 2.5680 3.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5920 5.2300 3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9390 4.8140 4.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4130 4.4760 2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9700 5.4530 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5930 5.2000 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5030 2.8080 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0480 3.2410 -0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7160 7.1300 1.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9050 8.0650 1.5990 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 40 41 1 0 0 0 0 M END