PUBCHEM-ZINC03869656 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 35 0 0 1 0 0 0 0 0999 V2000 -0.0820 1.2960 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.0010 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 0.0330 -0.7890 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2900 0.8680 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 -1.2660 -1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 -1.9610 -1.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 0.2260 0.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 1.3030 1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 2.2240 1.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7970 1.1930 1.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4040 2.5440 2.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7670 2.4320 2.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9340 1.4290 3.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 1.6900 0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 4.1560 0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 4.0560 1.1950 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5250 4.8680 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 3.1640 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 5.3980 0.9250 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 5.5440 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 6.2090 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 1.1720 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 2.1150 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -0.8370 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 -0.1640 0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 -0.5410 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5350 0.6030 1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5510 0.6270 2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7270 3.0930 2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5160 3.1490 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 1.5920 1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 1.0430 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5210 -1.4490 -2.5280 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.5700 3.3810 2.6500 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2120 3.0770 0.8210 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 3.2430 0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 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 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 35 36 1 0 0 0 0 M CHG 1 16 1 M CHG 1 33 -1 M CHG 1 34 -1 M END