COMGENEX-ZINC06870585 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0260 1.5310 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 0.0020 0.0050 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4350 -0.3410 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -0.5010 1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -0.9770 2.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 -0.4230 1.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0170 -1.0000 2.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0850 -1.8840 1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7670 -1.1340 0.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9290 -0.7030 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 0.2370 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 -0.5130 0.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 -1.3560 -0.9210 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5850 -2.3790 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7520 -1.2860 -0.5500 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5070 -0.8130 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 -0.2370 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 0.4420 2.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 -0.7860 -2.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 -1.4990 -3.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 -0.7560 -4.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 0.5610 -4.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 0.9230 -2.6490 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 1.9130 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 1.8970 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 1.8730 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4970 -0.2000 2.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -1.6010 2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7990 -2.2110 2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 -2.7550 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5310 -0.1790 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 -1.5690 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 0.4550 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3160 1.1640 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 -0.0620 1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5560 -1.6890 1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 -2.5760 -3.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -1.2090 -5.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 1.2930 -5.1170 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 4 1 0 0 0 0 2 12 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 11 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 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 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 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 22 23 1 0 0 0 0 22 39 1 0 0 0 0 M END