IFLAB-ZINC04553539 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 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 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -1.8140 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -2.6040 0.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 -2.3090 2.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 -1.5180 3.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 -3.6330 2.8090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -4.1190 3.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -5.6480 3.9880 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9590 -6.0000 3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 -6.1480 5.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2770 -6.9030 5.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7710 -7.2400 6.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0730 -6.7590 7.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7130 -5.8170 6.8730 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -6.2760 4.0010 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -5.8960 5.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -6.0850 2.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 -8.0240 4.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 -8.6180 5.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 -9.9880 5.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -10.7670 4.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -10.1710 3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -8.8010 2.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -12.1070 4.4600 F 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 1.0770 0.1420 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -4.2650 2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4510 -3.7410 3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -3.7670 4.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 -7.2270 4.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6550 -7.8470 6.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 -6.9200 8.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -8.0100 6.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -10.4520 6.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 -10.7780 2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -8.3370 2.0240 H 0 0 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 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 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 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END