PUBCHEM-ZINC05844449 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 0.3380 1.6740 -0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 0.1730 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -0.5810 -1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 -2.0640 -1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -2.8660 -1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 -4.2570 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -4.7920 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 -4.0230 -1.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 -2.6970 -1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -6.2390 -1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 -8.5030 -0.5700 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3500 -8.0840 -1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 -8.8430 -1.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 -6.7220 -1.3020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 -9.0080 0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -9.4430 -1.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -10.8510 -1.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -9.5780 -1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 -5.0340 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -6.0710 -0.2630 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1710 2.0550 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 1.9250 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 2.1940 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 -0.0390 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -0.1670 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -0.3610 -2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 -0.2310 -2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 -2.4100 -1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 -2.1450 -1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -6.9430 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -8.2820 1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -9.1750 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -9.9410 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 -9.0140 -2.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 -10.8240 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -11.3820 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -11.4500 -2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 -8.6140 -1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -10.2440 -2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -9.9930 -0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -7.1930 -0.6070 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 -4.5900 -1.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 9 29 1 0 0 0 0 10 14 2 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 42 2 0 0 0 0 30 41 1 0 0 0 0 M CHG 1 20 -1 M END