PUBCHEM-ZINC02164956 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 -0.1210 0.3850 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 1.3480 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 2.8130 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 2.2260 -0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 2.1470 0.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 3.2660 -1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6030 3.3660 -1.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0860 4.3400 -2.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2140 5.2170 -3.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 5.1240 -3.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 4.1580 -2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 6.2600 -4.3520 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.9390 6.3450 -4.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 7.0340 -4.9000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3950 1.3400 -2.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 2.0370 -3.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 0.5600 -3.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 0.4460 -4.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 0.3080 -4.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 0.1960 -6.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 0.2200 -7.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 0.3580 -6.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 0.4650 -5.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 -0.5360 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 0.1620 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 0.8320 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2840 2.6820 -1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1480 4.4180 -3.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 5.8110 -3.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 4.0890 -2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 0.0770 -2.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0210 0.2890 -4.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5090 0.0890 -6.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 0.1330 -8.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 0.3760 -7.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 0.5680 -5.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 4 2 0 0 0 0 2 15 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END