COMGENEX-ZINC06835820 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 -0.7550 -0.1780 -4.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -2.1900 -4.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -3.5090 -4.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9380 -4.4610 -4.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 -4.0930 -3.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 -2.7730 -4.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 -1.8210 -4.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0570 -2.3800 -4.0500 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.9090 -3.2180 -3.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3780 -1.2170 -4.2210 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4480 -1.5200 -6.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 -2.6450 -6.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 -2.6280 -7.5130 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -3.3330 -7.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -1.4630 -8.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 -0.7200 -7.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 0.5190 -7.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 1.0040 -8.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 0.2740 -9.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 -0.9490 -9.4200 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 0.0680 -3.7970 -4.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 -5.4910 -3.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0240 -4.8360 -3.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9490 -0.7900 -4.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 -3.4440 -5.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 1.0930 -6.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 1.9630 -9.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 0.6700 -10.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -1.5100 -10.1230 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