IFLAB-ZINC05251245 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 1.5240 1.5660 1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 0.1220 1.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -0.6130 1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 -0.0640 0.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -2.0860 1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -2.8510 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 -4.2250 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -4.8530 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 -4.0940 1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8270 -2.7200 1.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -6.2430 1.2560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -6.9800 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -6.4350 -0.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -8.4690 0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -9.0140 1.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -9.2060 -0.4660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -10.6660 -0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -11.2470 -1.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -11.5890 -2.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -12.1220 -3.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 -12.3140 -3.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 -11.9730 -2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 -11.4440 -1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 1.8890 1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 2.0360 1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 1.8560 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -2.3640 0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -4.8160 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 -4.5840 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 -2.1320 1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3570 -6.6800 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 -8.7710 -1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -11.0550 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -10.9430 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 -11.4400 -2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -12.3890 -4.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3020 -12.7290 -4.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4500 -12.1220 -2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 -11.1800 -0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 M END