COMGENEX-ZINC06869044 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 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 3 0 0 0 0 0 0 0 0 0 -1.0120 -0.4040 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -0.5400 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -0.1020 2.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 -1.5130 0.9230 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 -1.9850 -0.4650 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2240 -2.9230 -0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -0.6370 -1.4310 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2090 -2.1440 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1740 -1.3360 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -1.4820 -0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8610 -2.4360 -1.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8970 -3.2440 -2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5710 -3.1020 -1.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2830 -4.2660 -3.1510 N 0 3 0 0 0 0 0 0 0 0 0 0 6.4520 -4.3940 -3.4710 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4330 -4.9780 -3.6540 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4700 -2.1000 1.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 -3.2840 2.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 -4.8650 4.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 -5.7520 5.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0910 -5.6150 4.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -4.6570 3.1090 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 3.8920 -0.5900 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2540 -0.8500 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8980 -2.5490 -1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 -3.7360 -2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 -2.4430 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6620 -1.3490 2.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -2.9400 3.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 -4.0350 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 -5.4630 3.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 -4.3650 5.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0460 -5.3930 6.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 -6.7900 5.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9160 -5.1880 4.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3740 -6.5850 3.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 -3.9980 2.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 -5.2220 2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 -3.8720 3.6760 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END