PUBCHEM-ZINC05631705 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 0.1310 0.0410 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 0.8730 -1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 1.3020 -2.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 1.1700 -1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 1.8560 -2.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0760 2.0750 -1.8560 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3120 2.3580 -3.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 3.0060 -4.5040 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7810 2.2800 -4.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 3.4010 -5.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 2.2140 -6.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 1.6730 -6.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 0.5860 -6.9720 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -0.0050 -7.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 0.4080 -7.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 1.4190 -7.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4140 1.4630 -7.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 0.5000 -8.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 -0.4990 -9.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 -0.5640 -8.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8810 4.2260 -4.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6440 3.9510 -3.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 -0.5560 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 -0.6490 -1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 0.6970 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 0.8120 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3780 2.9160 -2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 2.2130 -3.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6130 4.0100 -6.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 4.0260 -5.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 1.9600 -5.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1310 2.2360 -7.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7150 0.5320 -9.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 -1.2410 -10.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -1.3440 -8.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7440 5.3150 -4.6440 O 0 5 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 15 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 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 M CHG 1 36 -1 M END