PUBCHEM-ZINC05379763 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 56 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 0.0120 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 -0.5010 -2.5210 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2140 -0.1400 -3.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 0.0100 -2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7980 -0.3710 -3.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0870 0.0070 -4.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7610 0.7300 -3.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0720 1.1130 -3.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7120 0.7760 -4.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0440 0.0560 -5.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7340 -0.3340 -5.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0200 -1.1100 -6.2270 N 0 3 0 0 0 0 0 0 0 0 0 0 6.5890 -1.4090 -7.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8650 -1.4490 -6.0470 O 0 5 0 0 0 0 0 0 0 0 0 0 10.1420 1.1960 -4.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2400 2.7220 -4.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6920 3.1480 -4.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5790 2.5430 -3.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4810 1.0170 -3.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0290 0.5900 -3.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 -1.9300 -2.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 -0.3490 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 1.1020 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2010 1.0960 -2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7630 -0.4220 -1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2610 0.9930 -2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5960 1.6750 -2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5460 -0.2050 -6.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4750 0.8440 -5.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6080 3.1540 -5.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9080 3.0740 -3.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0240 2.7960 -5.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7610 4.2350 -4.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6130 2.8460 -3.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2460 2.8950 -2.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8130 0.6640 -4.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1120 0.5850 -3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6960 0.9430 -2.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9590 -0.4970 -3.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 -2.3210 -1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.4780 -1.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 -1.4840 -1.2680 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 1 0 0 0 0 2 4 1 0 0 0 0 2 54 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END