PUBCHEM-ZINC06634370 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.4470 1.4280 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -0.0350 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -0.6890 1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -2.0160 1.5030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -2.9010 0.3740 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7410 -3.1550 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -3.9650 1.1870 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1450 -4.1400 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 -2.9280 2.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 -2.9270 3.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -5.2360 1.4640 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -6.3220 0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -6.3260 -0.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -7.5240 1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -8.6300 1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -8.6410 2.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -9.6660 3.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 -10.6840 2.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 -10.6750 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 -9.6510 0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -2.1230 -1.1410 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -2.9430 -2.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -0.6900 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 0.0940 2.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 0.6420 3.1020 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8990 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 1.9850 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 1.5500 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -5.3150 2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -7.2330 1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -7.8830 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -7.8530 3.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 -9.6670 4.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 -11.4800 3.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -11.4630 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -9.6540 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -1.0120 -1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 0.0200 -1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 0.1110 3.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 2 0 0 0 0 M CHG 1 25 -1 M END