PUBCHEM-ZINC05490990 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 -0.2170 -3.1430 -1.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -1.9850 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -2.0750 0.6330 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -0.8030 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 0.0950 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -0.6700 -1.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -0.2300 -2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 0.3480 -2.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 0.8230 -4.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 1.1720 -4.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 0.6890 -2.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 0.0960 -5.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 2.3910 -4.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -0.3330 -5.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9410 1.7540 -4.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 1.5100 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 2.3410 -0.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 1.9560 1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 3.3180 1.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 3.7620 3.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 2.8540 4.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 1.4960 4.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 1.0410 2.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -0.4110 2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -1.1930 3.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -3.0190 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -3.2610 -2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -4.0680 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -1.1390 -3.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 1.1820 -2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 -0.4070 -2.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 0.1650 -2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 1.5610 -2.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 -0.0700 -5.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 0.3900 -6.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 -0.8750 -5.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 3.2170 -3.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 2.7660 -5.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 2.1310 -4.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -1.1490 -5.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 0.0060 -6.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8970 -0.7780 -5.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 1.2310 -4.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0540 2.1200 -5.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 2.6290 -3.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 4.0410 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 4.8200 3.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 3.2060 5.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 0.8020 4.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 1.6580 -4.6410 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6200 2.5540 -4.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 1.9160 -5.6380 H 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 6 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 50 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 50 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 M CHG 1 50 1 M END