PUBCHEM-ZINC06522287 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 0 0 0 0 0 0999 V2000 -0.0280 1.6070 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 0.1340 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -0.3790 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -1.7560 1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -2.6400 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -2.1430 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -0.7540 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 -3.0840 -1.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -4.3310 -1.6030 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0790 -4.0390 0.5750 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -4.7980 1.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8310 -4.3920 2.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -6.2750 1.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -7.1540 2.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -8.6260 2.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -9.5120 3.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -10.9820 3.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -11.3720 2.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 -11.7560 4.2370 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -13.1540 4.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -14.0180 3.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -15.3940 3.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -15.9250 4.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -15.0600 5.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -13.6720 5.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -12.7550 6.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 -11.5060 6.3700 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6060 -17.4030 5.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 1.8570 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 1.9190 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 2.1830 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 0.2900 1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -2.1120 2.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -0.3680 -2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -4.5270 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 -6.4150 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 -6.5600 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 -7.0140 2.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -6.8460 3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 -8.7640 2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -8.9330 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 -9.3960 3.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 -9.2150 4.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 -11.2850 5.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -13.6480 2.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -16.0480 2.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 -15.4620 6.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 -17.8480 4.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -17.6140 6.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -17.8840 4.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 -2.5780 -2.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 -13.2820 7.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 51 2 0 0 0 0 10 11 1 0 0 0 0 10 35 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 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 44 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 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 52 2 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M CHG 1 9 -1 M CHG 1 27 -1 M END