IFLAB-ZINC04354572 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -0.5120 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.0980 2.4480 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 -0.6250 2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 -0.1150 1.1740 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1590 0.9710 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.5000 0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 -0.7230 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -0.4930 3.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -0.2020 4.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 0.4610 5.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 0.4410 6.6420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -0.2270 7.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 -0.6300 5.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 -1.2890 5.8190 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 -1.5380 4.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 -1.1610 3.5180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -0.4430 8.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 0.5150 9.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 0.2990 10.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -0.8710 11.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -1.8280 10.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -1.6180 8.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -1.0800 12.3640 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 0.8020 -1.6000 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7450 -0.0900 1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -1.7140 2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 -0.2850 3.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0520 -0.4320 1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9970 -0.3600 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -1.8090 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7730 0.9100 4.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 -2.0740 4.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 1.4280 9.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 1.0440 11.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 -2.7400 10.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -2.3670 8.0520 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 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 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 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 19 2 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 38 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