COMGENEX-ZINC06835818 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 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 0.0170 -0.9450 2.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -1.4030 3.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -1.4200 3.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 -0.9780 2.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 -0.5240 1.2420 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 0.0060 -0.6080 -2.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -0.3360 -2.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.0940 -3.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -1.1530 -4.7600 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1360 -1.7670 -4.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 0.2410 -5.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 1.2040 -5.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 2.4820 -5.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 2.7960 -5.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 1.8330 -5.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 0.5530 -5.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 2.1690 -5.2140 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3460 3.2960 -5.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7690 1.3200 -4.8730 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3920 -1.7540 -5.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -1.2750 -6.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 -2.0860 -7.6510 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 -1.9450 -8.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -3.1340 -7.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -2.9750 -6.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -3.9050 -6.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 -4.9680 -7.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -5.1320 -8.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -4.2220 -8.5830 C 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 -1.0620 -0.9330 2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -1.7480 4.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -1.7760 4.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8610 -0.9900 2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6700 -0.1830 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -0.6950 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -0.4090 -3.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 -2.0890 -3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 0.9590 -5.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 3.2360 -6.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 3.7950 -5.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 -0.2010 -4.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 -0.3810 -6.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 -3.7840 -5.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 -5.6870 -7.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -5.9770 -9.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -4.3590 -9.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 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 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 33 2 0 0 0 0 32 52 1 0 0 0 0 33 34 1 0 0 0 0 33 53 1 0 0 0 0 34 54 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END