PUBCHEM-ZINC00627385 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 0.8440 0.3140 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 0.7550 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 0.3550 -1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 0.2220 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 1.1100 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9020 0.6360 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 -0.7370 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1320 -1.6250 0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -1.1520 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5040 -1.1310 1.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9640 -2.4340 1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2570 -3.4400 1.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4380 -2.6930 1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8380 -3.7300 0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1430 -4.2140 0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0680 -3.6820 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6890 -2.6580 2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3800 -2.1400 2.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0690 -1.0460 3.1060 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7720 -0.5370 4.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7470 -1.0670 4.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1540 0.7780 4.7180 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.1100 0.5390 4.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8550 1.2160 6.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1490 1.9460 5.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5010 2.4380 4.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6170 2.3680 3.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1760 1.9540 3.7110 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.6940 2.8050 4.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3910 1.8160 2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7750 0.7130 2.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 0.7760 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 0.6110 1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 -0.7720 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 1.8530 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 0.6820 -2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 0.8180 -1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -0.7290 -1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 2.1850 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6860 1.3640 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2780 -2.6990 0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -1.8760 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1470 -0.3260 1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1130 -4.1810 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4280 -5.0110 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0900 -4.0500 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4590 -2.2490 2.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2290 -0.4900 2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0430 0.3490 6.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1900 1.8830 6.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8240 2.0490 6.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4640 2.9270 4.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0630 1.6730 2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6170 3.3570 2.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4240 2.8040 1.6190 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 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 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 30 55 1 0 0 0 0 M CHG 1 55 -1 M END