IFLAB-ZINC05258840 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 44 0 0 1 0 0 0 0 0999 V2000 0.7330 1.2880 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 1.1280 2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 3.0270 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 3.3880 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9380 4.8440 0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 6.7350 -0.8590 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8180 7.2620 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2300 7.1210 -1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4630 6.5840 -0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3840 5.5200 -0.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5930 7.3580 -1.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8890 7.1110 -0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2290 6.0240 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5410 5.8750 0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4790 6.8260 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1960 7.8940 -0.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9140 8.0080 -0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 7.0460 -1.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 5.9790 -2.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 0.2360 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 1.9400 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 1.4620 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 1.7230 2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 0.0650 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 1.2730 3.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 3.6460 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 3.1510 2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 3.2450 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3820 2.7280 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 5.0060 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 5.5030 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2910 8.2140 -1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2540 6.7290 -2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4960 8.1930 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5020 5.2750 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8190 5.0340 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5100 6.7520 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7360 8.8820 -1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 1.5780 1.1100 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8170 1.0010 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9030 5.2310 -0.5510 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5530 4.8690 -1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8770 4.8960 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 8.2320 -1.9180 O 0 5 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 39 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 6 41 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 M CHG 1 39 1 M CHG 1 41 1 M CHG 1 44 -1 M END