PUBCHEM-ZINC01019573 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.3670 2.0260 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 0.5140 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -0.1450 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 -1.6440 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 -2.4460 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -3.8380 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -4.4810 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -3.6540 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4710 -2.2610 0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 -5.8530 -0.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 -6.5990 0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 -7.7790 1.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -8.6010 0.4100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -7.8360 -0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -6.6660 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 -9.9610 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -10.5530 -0.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 -10.7280 1.1380 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0720 -10.0540 1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 -11.1250 2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -12.3020 2.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -13.5040 1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -13.1540 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 -11.9520 0.4820 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7340 -12.2760 1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 -11.5500 -0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 -10.3870 -0.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 2.3110 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 2.4770 -2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 2.4470 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 0.2640 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 0.1290 -1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 0.1120 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 0.2480 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 -1.9990 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 -4.4220 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 -4.0890 0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 -1.6670 0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 -5.9750 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 -6.9700 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -7.3960 2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -8.3510 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -7.4600 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -8.4690 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 -7.0610 -1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -6.0890 -1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -10.2770 2.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -11.3970 3.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -12.0030 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -12.5830 3.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -14.3120 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 -13.8860 2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -12.9660 -0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 -14.0310 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7890 -12.4380 -1.6960 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 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 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 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 20 1 0 0 0 0 18 24 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 55 1 0 0 0 0 M CHG 1 55 -1 M END