PUBCHEM-ZINC04532729 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.2260 0.4080 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 0.9970 1.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 2.0320 2.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 2.0240 3.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 2.4400 4.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 2.4270 5.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9950 1.9890 4.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7020 1.5880 2.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 1.6290 2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 1.2210 1.0710 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3330 0.1570 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9030 2.0260 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 3.5500 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 4.2390 -1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8390 4.5550 -0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5550 5.1670 -1.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8850 5.4510 -3.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5280 5.1450 -3.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 4.5350 -2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0220 5.4880 -4.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 5.2350 -4.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5560 6.0490 -4.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8790 5.5090 -1.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5620 5.3250 -0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3000 1.9510 4.6870 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4520 2.7980 6.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 3.2790 7.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -0.6290 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 0.5350 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 0.7260 -1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 1.0560 1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -0.0250 2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 1.8030 3.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 3.0360 2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 2.7610 5.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5210 1.2490 2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6740 1.6790 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 1.7930 0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 3.9400 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 3.8290 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3210 4.3080 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 4.2800 -2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 5.5800 -5.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 5.7970 -3.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 4.1630 -4.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8860 6.1460 -4.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5850 5.6930 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6210 4.2630 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0950 5.9050 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2830 2.2650 5.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 3.5470 8.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 2.5010 7.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 4.1810 6.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 1.2930 0.6890 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3730 2.2570 0.4060 H 0 0 0 0 0 0 0 0 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 1 54 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 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 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 35 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 54 1 0 0 0 0 12 13 1 0 0 0 0 12 37 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 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 27 51 1 0 0 0 0 27 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