COMGENEX-ZINC04562114 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 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 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -0.7350 2.3200 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -0.5480 2.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7440 -0.8080 3.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -1.2080 4.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 -0.6040 3.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8460 -0.8720 4.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2070 -0.6800 4.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9350 -0.2230 3.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 0.0440 2.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9410 -0.1380 2.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0900 0.5320 1.5350 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.2920 0.6980 1.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5350 0.7670 0.4770 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.8910 -0.9630 6.2580 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.2520 -1.3660 7.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0940 -0.7940 6.3580 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1750 -0.7270 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8270 -1.1740 2.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2810 -1.3990 2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9610 -1.8620 3.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3230 -2.0710 3.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0170 -1.8230 2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3510 -1.3640 0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9880 -1.1570 1.0300 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 -1.0200 -0.3810 0.0100 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 -3.2790 -1.2300 5.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0010 -0.0750 3.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4490 0.0750 1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 -0.5350 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 -1.3660 3.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 -2.0560 4.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8490 -2.4280 4.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0840 -1.9870 2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -1.1720 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4690 -0.8030 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 5 6 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 13 2 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M CHG 1 17 1 M CHG 1 19 -1 M END