COMGENEX-ZINC06727775 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 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 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 -0.5320 0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0430 2.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 -1.0850 1.9860 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1620 0.0760 2.2880 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0800 0.8280 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8520 -0.6430 2.3240 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3980 -2.1040 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 -2.1740 1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2620 -3.1710 1.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8020 0.6650 3.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -0.1470 4.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9690 0.3930 5.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1400 1.7460 6.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6430 2.5580 5.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9780 2.0160 3.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8300 4.0320 5.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4280 4.3390 6.6400 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1780 4.3660 5.1730 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0560 4.7610 4.4260 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5220 0.4690 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 -1.2020 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -0.3740 3.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -2.0450 2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6490 -1.9400 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8780 -3.0050 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1650 -1.2040 4.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5760 -0.2410 6.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 2.1680 7.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3740 2.6500 3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -0.4910 1.1920 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 0.0720 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 40 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 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 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 40 41 1 0 0 0 0 M END