PUBCHEM-ZINC05884080 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 0 0 0 0 0 0999 V2000 -0.3640 1.3150 -0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -0.0520 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -0.2370 1.1730 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 -1.4640 1.5770 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -1.6940 2.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -0.8390 3.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 -3.0140 3.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 -3.0160 4.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -3.4620 5.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -3.4640 7.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -3.0200 7.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2920 -2.5760 6.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1320 -2.5780 5.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 -3.0210 9.0290 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5410 -3.4130 9.7480 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 -2.6310 9.5190 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1000 -1.1800 -1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -2.4670 -0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 -3.5180 -1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -3.2990 -2.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -2.0200 -3.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -0.9630 -2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -4.3680 -3.7000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -4.1990 -4.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 -3.1010 -5.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -5.3750 -5.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 -4.9150 -7.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -6.1080 -8.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 -7.1760 -7.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -7.6360 -6.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -6.4430 -5.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 1.8700 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 1.2110 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 1.8510 0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 -2.1470 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -3.8210 3.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 -3.1600 2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -3.8080 5.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -3.8110 7.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2180 -2.2290 7.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9320 -2.2340 4.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -2.6370 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -4.5130 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -1.8550 -4.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 0.0310 -2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -5.2320 -3.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -5.7940 -6.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 -4.4960 -7.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -4.1540 -7.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 -5.7800 -9.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -6.5270 -8.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 -6.7580 -7.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 -8.0260 -8.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 -8.3970 -5.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -8.0550 -6.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -6.7710 -4.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 -6.0240 -5.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END