COMGENEX-ZINC06777491 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -1.1860 1.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -0.1910 2.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 -0.6760 3.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -0.8180 4.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 0.3130 4.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -1.3270 -2.1840 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6590 -0.7300 -2.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -2.0360 -3.1660 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 -0.7020 -2.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -0.1450 -1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 0.5620 -0.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 -2.4150 -1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 -2.9140 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6490 -3.9120 -1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 -4.4110 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 -3.9130 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 -2.9180 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 -5.4990 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 -6.7480 0.0580 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8230 -5.3790 1.8620 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.3440 -5.3780 0.1580 F 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 -0.5170 0.3560 2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -1.4090 3.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -0.5500 4.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -1.6440 5.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 0.2310 5.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 1.3250 4.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5520 -1.1100 -2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 0.0620 -3.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 -2.5240 -3.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 -4.3010 -1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 -4.3030 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 -2.5320 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 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 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 M END