PUBCHEM-ZINC03874357 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 66 0 0 1 0 0 0 0 0999 V2000 0.5750 -0.6130 -2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -0.1880 -0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 1.2920 -0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -0.4990 -0.2400 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0280 -0.0900 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -2.0130 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 -2.6060 -1.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -2.6300 0.9080 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -4.0510 1.1770 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8100 -4.3220 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -4.9000 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -4.2640 2.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -3.5620 3.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 -5.3220 3.2130 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -5.7320 4.6020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2500 -4.8510 5.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9710 -6.8870 4.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3410 -6.7050 4.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3230 -6.7360 5.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -6.1750 4.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -6.8560 4.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 0.0230 -1.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 1.2470 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 2.0480 0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8990 1.4790 -1.6960 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5630 1.2380 -2.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0540 0.5290 -1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0600 0.3770 -2.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8660 -0.5960 -3.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7810 -0.7320 -4.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8900 0.1080 -4.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0970 1.0780 -3.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1830 1.2130 -2.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8080 0.0070 -5.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5280 -0.7070 -6.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2530 2.8980 -1.7680 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 3.5950 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2900 3.1080 0.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0980 5.0470 -1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 -0.4160 -2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 -1.6840 -2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 -0.0670 -2.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -0.7560 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 1.9280 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 1.6190 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 1.4650 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -2.1080 1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -4.7530 -0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -4.6420 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -5.9650 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 -5.8400 2.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 -7.8400 4.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 -6.9860 6.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -5.8880 5.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 -0.5930 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6690 -0.4710 -1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5680 0.8420 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0050 -1.2600 -3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6120 -1.4940 -5.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9680 1.7240 -3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3520 1.9710 -1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 3.3970 -2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9380 5.1420 -1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3180 5.6060 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1980 5.4680 -1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 -6.5450 3.0360 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 43 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 22 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 51 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 19 2 0 0 0 0 18 66 1 0 0 0 0 20 21 2 0 0 0 0 20 54 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 36 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 31 32 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 36 62 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 63 1 0 0 0 0 39 64 1 0 0 0 0 39 65 1 0 0 0 0 M CHG 1 66 -1 M END