IBS-ZINC02135136 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -0.3390 1.7710 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 0.2890 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -0.2610 0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -0.4870 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -1.9860 -0.1320 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7300 -2.4600 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7530 -2.6700 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 -3.1060 -0.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 -2.7430 1.3800 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4240 -3.3140 1.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4700 -2.2300 1.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7820 -2.7500 2.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7940 -3.9520 2.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 -2.3150 -1.4710 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -3.3560 -1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -3.9740 -0.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -3.7140 -2.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -4.7420 -3.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 -5.0570 -4.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -4.3440 -5.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -3.3170 -5.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -3.0080 -3.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 -1.9920 -3.8020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 -1.4730 -4.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 -1.6260 -2.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 -0.7160 -2.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 2.3460 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 2.1940 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 1.9140 1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 0.2220 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -0.2680 1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -1.2820 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 0.3500 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 -0.3940 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 0.0060 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -2.3870 2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 -4.0580 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2320 -3.8340 2.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0920 -1.4480 2.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6750 -1.7520 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 -5.3010 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 -5.8580 -4.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -4.5910 -6.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -2.7720 -6.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7080 -1.8890 2.5930 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 45 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 45 -1 M END