IBS-ZINC02149994 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2110 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0310 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4120 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 3.5930 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 4.1870 1.7190 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 5.9260 1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 6.5010 0.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 7.8500 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 8.9440 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 8.7650 -1.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 10.1940 0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 10.9600 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 10.3820 1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 9.3730 2.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 8.1080 1.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 6.8840 2.4170 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 6.6460 3.8630 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8400 7.5510 4.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 6.1730 4.3200 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0640 5.7150 3.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 5.1260 5.4160 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6190 4.1500 5.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 5.0900 5.4920 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3280 5.7550 6.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 5.5580 4.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 3.6610 5.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 3.6670 5.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 5.5380 6.6670 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2730 7.2660 4.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 11.6630 1.8880 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 -2.0300 -0.0200 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 -0.4950 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9670 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 3.9710 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 3.9460 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 3.0360 4.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 3.2650 6.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 2.7920 6.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 4.9170 7.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 7.0260 5.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 12.4180 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 11.8130 2.8460 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 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 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 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 18 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 32 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 29 41 1 0 0 0 0 29 42 1 0 0 0 0 30 43 1 0 0 0 0 31 44 1 0 0 0 0 32 45 1 0 0 0 0 33 46 1 0 0 0 0 33 47 1 0 0 0 0 M END