PUBCHEM-ZINC04661087 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 33 0 0 0 0 0 0 0 0999 V2000 -0.4440 1.3730 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 -0.0310 -0.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -0.6070 -1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -2.1050 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -2.7220 -2.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -4.1570 -2.1230 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -4.9390 -3.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 -4.3400 -4.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -5.1210 -5.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 -6.4990 -5.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 -7.0920 -4.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 -6.3170 -3.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -6.9560 -1.7460 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1470 -7.8970 -1.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -6.5400 -1.1810 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5040 -7.3330 -6.2760 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0120 -8.4180 -6.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 -6.9340 -6.9210 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2980 -4.5230 -6.5280 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 1.8930 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 1.5640 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 1.7340 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 -0.4580 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -0.1280 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 -2.2540 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 -2.5840 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -2.5730 -3.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 -2.2430 -2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 -4.5630 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -3.2690 -4.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -8.1630 -3.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4520 -3.5650 -6.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -5.0640 -7.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M CHG 1 16 1 M CHG 1 18 -1 M END