PUBCHEM-ZINC04544019 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 0.1870 1.7180 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 0.1930 -0.0850 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5540 -0.1980 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 -0.2360 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 0.1280 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4690 -0.4090 1.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2470 -0.2900 2.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5600 -0.7990 2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2580 -0.6430 3.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8210 -0.0440 4.8230 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5630 0.4060 4.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7650 0.3250 3.5820 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4760 -1.2270 3.4790 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4690 -1.7050 2.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3330 -1.4510 1.5750 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5650 -1.3150 4.4290 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.4480 -0.4710 5.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6990 -2.6200 5.2510 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.0890 -2.4950 6.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1840 -2.5200 5.6490 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.2850 -1.9390 6.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8590 -1.7630 4.5000 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.5190 -0.9850 4.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8250 -1.0700 3.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6540 -2.6230 3.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2790 -1.7740 2.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5680 -1.1730 2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7170 -3.8210 5.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0290 -4.3520 5.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5570 -3.7340 4.5340 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6920 -0.4130 -1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0950 -0.1840 -1.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 0.7290 -1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 2.0100 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 2.1760 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 2.1520 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 0.2100 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -1.3240 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 -0.2830 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 1.2160 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8860 -0.8810 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1300 0.9020 5.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3160 -2.2330 1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0120 -3.3180 2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4450 -3.1850 4.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -1.4980 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -0.0020 -2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 41 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 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 31 32 1 0 0 0 0 31 46 1 0 0 0 0 31 47 1 0 0 0 0 32 33 1 0 0 0 0 M CHG 1 30 -1 M END