COMGENEX-ZINC04560904 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 -0.0040 1.4090 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 0.0260 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -0.6540 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 0.0540 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 1.4480 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 2.1180 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7050 -0.6720 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9370 -0.1160 -0.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7760 -1.1210 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0480 -2.2420 -0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.9690 -0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2810 -1.0310 -0.0640 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5820 0.0170 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8470 -1.7300 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3730 -1.6100 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9370 -2.3010 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2890 -1.7330 -1.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8210 -1.7140 -1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0270 -1.2380 -2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2370 -1.1710 -2.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3720 -0.7810 -3.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1140 -0.3790 -4.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4560 0.0800 -5.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2230 0.4970 -6.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5990 0.9270 -8.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2170 0.9460 -8.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4510 0.5350 -7.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0600 0.0970 -5.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5550 1.4090 -9.3470 N 0 3 0 0 0 0 0 0 0 0 0 0 8.2260 1.7720 -10.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3390 1.4280 -9.4180 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9460 1.9380 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 -0.5220 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -1.7340 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 2.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.1980 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4450 -1.2610 2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5650 -2.7830 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6550 -0.5580 1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7740 -2.0880 2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0130 -2.1340 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7330 -3.3710 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4450 -2.7360 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5010 -1.1600 -2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2940 -0.7650 -3.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1920 -0.3950 -4.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3010 0.4830 -6.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1900 1.2490 -8.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3730 0.5530 -7.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4610 -0.2280 -5.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END