PUBCHEM-ZINC05687664 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 40 0 0 0 0 0 0 0 0999 V2000 0.0210 1.5150 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.0030 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -0.5080 0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 -0.7720 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 -0.6360 -2.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 -0.9920 -3.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 -1.4590 -3.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3530 -1.6000 -1.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 -1.2470 -0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 -1.2580 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 -0.7940 1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 -0.6540 2.4380 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 -1.0190 3.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 -0.9170 4.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 -1.2770 5.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5610 -1.7530 5.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8600 -1.8550 3.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9480 -1.5000 2.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3120 -1.6260 1.6470 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5740 -2.1480 6.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6980 -2.5730 5.9290 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.0850 -1.8640 -4.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 1.8590 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 1.9210 -0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 1.9340 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.4160 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -0.3970 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -0.2690 -2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 -0.8970 -4.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3180 -1.9770 -1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -0.5490 4.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0330 -1.1860 6.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8400 -2.2240 3.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9560 -2.9190 -4.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1020 -1.7130 -3.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9850 -1.2610 -4.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2220 -2.0230 7.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 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 2 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 19 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 37 2 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 M CHG 1 21 -1 M END