PUBCHEM-ZINC05908532 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.8420 2.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -1.3080 3.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 -1.4060 3.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 -1.8800 4.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 -2.1790 5.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8640 -2.6490 6.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 -2.8270 7.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 -2.5390 6.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 -2.0590 5.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -1.6980 4.6690 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0890 -1.7330 5.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 -3.0780 4.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -4.1060 5.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 -5.3400 5.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 -5.5500 4.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 -4.5080 3.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 -3.2780 3.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3600 -6.8690 3.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 -7.7730 4.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7790 -1.0480 2.2520 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 -0.6230 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 -0.2500 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3850 -0.4680 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -0.7550 2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6610 -2.0440 4.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 -2.8820 6.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 -3.1970 8.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -2.6810 7.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -1.5660 6.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 -0.9530 4.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -3.9420 6.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -6.1410 6.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3250 -4.6640 2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -2.4700 2.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5550 -0.8740 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 0.7980 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7190 0.1560 1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5680 -1.5160 0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9350 -0.1980 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9600 -7.0680 2.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3260 -7.9480 2.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 13 2 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 13 1 M END