PUBCHEM-ZINC05964761 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 2.0340 -5.6910 3.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7280 -4.6770 2.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 -3.2690 3.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 -3.0750 4.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -2.2530 2.3920 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -0.8820 2.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 -0.4320 3.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 0.8920 4.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 1.7960 3.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 1.3740 2.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 0.0490 2.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 -2.5580 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -1.5550 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -2.0400 -1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 -3.3150 -0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -2.8750 0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -2.5710 -3.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -1.2180 -3.8410 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1860 -0.7950 -4.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 -1.3340 -5.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 -1.3970 -6.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 -1.5300 -7.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -1.6040 -7.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6800 -1.5480 -6.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 -1.4150 -5.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -1.7360 -8.6850 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -0.3150 -2.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -5.7570 4.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 -6.6830 3.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9390 -5.4140 4.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 -4.6550 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 -5.0050 2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 -1.1000 4.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 1.2110 4.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 2.8230 4.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 2.0740 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -0.2260 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 -3.4820 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -0.5660 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 -1.4250 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -1.2810 -2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7090 -2.9800 -1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -4.2670 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 -3.4070 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -3.6670 1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 -2.0100 0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 -3.0950 -3.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -3.2280 -3.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -1.3420 -6.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -1.5760 -8.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7640 -1.6090 -6.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 -1.3770 -4.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 0.4370 -3.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -2.2840 -1.6640 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7890 -1.3820 -1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 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 12 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 54 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 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 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 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 51 1 0 0 0 0 25 52 1 0 0 0 0 27 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END