PUBCHEM-ZINC03841504 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 0.0620 1.4680 -0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -0.0570 -0.1640 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4490 -0.4650 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -0.5970 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 -1.1750 1.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 -0.3520 -0.9250 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6780 -0.6890 -0.8260 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7760 -1.6790 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4140 0.3600 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2670 1.6760 -0.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3710 1.5360 -1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4200 -0.6320 -2.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4540 0.5390 -2.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -0.5430 0.9130 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -0.4880 0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 -0.0410 0.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 -1.0060 2.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1810 -0.9900 2.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5310 -1.5890 3.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8040 -2.9600 3.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0980 -3.5190 4.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1150 -2.7160 6.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8360 -1.3540 5.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 -0.7930 4.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 1.8700 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 1.8370 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 1.8870 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 0.1030 -1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4860 0.1410 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0150 0.3910 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -0.9600 1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 -1.5730 1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5550 0.0400 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7810 -3.6010 2.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3090 -4.5820 4.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3410 -3.1530 7.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 -0.7300 6.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3130 0.2680 4.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8980 -1.7170 -2.6140 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 12 39 1 0 0 0 0 14 15 1 0 0 0 0 14 31 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 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 M CHG 1 39 -1 M END