PUBCHEM-ZINC05425031 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.1790 1.9980 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 0.5280 -0.2890 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2140 0.1340 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 0.3320 -1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -1.0470 -2.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -1.6060 -3.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -1.6540 -4.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -2.2370 -4.7840 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 -2.5680 -3.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -2.1920 -2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 -2.4030 -1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 -2.0270 -0.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9760 -3.0480 -1.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7620 -3.4640 -2.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8490 -4.0270 -2.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2430 -3.2000 -3.5060 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9790 -3.5840 -4.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5340 -3.3230 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -0.7440 1.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 -1.2930 2.8870 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4010 -2.2200 2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 -1.5480 4.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -2.8310 4.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 -3.0720 5.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -2.0560 6.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -0.7830 6.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -0.5210 5.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 0.2580 7.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 -4.3400 6.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 -0.3440 2.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 2.4080 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 2.5930 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 2.1400 1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 1.0900 -2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 0.5100 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -1.7830 -1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -0.9730 -2.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 -1.2580 -5.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 -2.6870 -5.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9240 -4.0750 -4.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3670 -4.2750 -5.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7010 -4.4010 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -2.8160 0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 -2.9890 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 -1.5060 1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 0.1160 2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -3.6540 3.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -2.2510 7.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 0.4920 4.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 -0.0630 8.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 -4.3790 7.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 -0.5610 3.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -0.2420 0.7070 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1380 -1.0580 0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 0.3160 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 53 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 30 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 M CHG 1 53 1 M END