COMGENEX-ZINC04753145 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.0600 -0.5960 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6940 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -2.1630 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -2.6620 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 -1.9580 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 -0.4890 1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 0.0100 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4140 -2.6480 1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 -3.8610 1.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7290 -1.9120 1.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6800 -1.0500 0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0550 -1.4520 2.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0070 -2.5620 3.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8030 -2.9130 1.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8140 -2.8140 0.8120 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4060 -2.3580 -0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4010 -2.9100 -1.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8010 -2.2940 -2.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1900 -1.1960 -2.4390 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0080 -0.9400 -1.2450 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.9320 -2.8420 -2.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2380 -2.2730 -2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7220 -1.0940 -2.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9200 -0.5710 -2.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6360 -1.2280 -1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1500 -2.4090 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9540 -2.9330 -1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8070 -0.7180 -1.1070 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -2.5260 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -2.5260 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 -3.7350 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -2.4550 2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2860 -0.1260 1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 -0.1270 2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 1.0820 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 -0.1940 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1490 -1.4090 3.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5590 -0.4850 2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4440 -3.4240 3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6690 -2.1790 3.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1990 -3.9260 1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6110 -2.1970 1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7820 -2.5640 -3.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9530 -3.9290 -2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1630 -0.5810 -3.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2970 0.3500 -2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7080 -2.9230 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5780 -3.8560 -1.0490 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 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 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 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 52 1 0 0 0 0 29 53 1 0 0 0 0 M END