COMGENEX-ZINC04459068 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 59 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 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -2.5930 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 -4.1000 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 -4.6920 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9850 -4.7900 0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 -6.2540 0.0060 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1240 -6.6030 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 -6.7700 1.4390 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8040 -7.8600 1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 -6.2460 2.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 -6.2810 2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9200 -6.8980 3.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2520 -6.7710 -0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1020 -5.9920 -0.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4580 -8.0980 -0.6940 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6440 -8.5750 -1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6240 -7.8410 -1.6760 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6370 -8.4320 -2.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5990 -9.7360 -2.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0520 -10.2250 -1.4510 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.6600 -10.6400 -2.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8390 -10.1150 -3.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8250 -10.9640 -3.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6470 -12.3350 -3.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4800 -12.8620 -3.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4840 -12.0240 -2.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7280 -13.2570 -4.0570 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 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 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 -2.2420 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 -2.2320 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8320 -4.3160 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 -6.6140 3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 -6.5950 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 -5.1560 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9630 -5.1940 2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9340 -6.5790 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9560 -7.9840 3.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9860 -6.5990 4.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7610 -6.5490 4.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7780 -8.7210 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9790 -9.0450 -3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7380 -10.5590 -4.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3480 -13.9330 -2.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5720 -12.4370 -2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5630 -13.4690 -5.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7030 -14.1880 -3.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7000 -12.7810 -3.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 43 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 46 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 51 1 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 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 M END