PUBCHEM-ZINC06091493 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 0.0160 1.3450 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -0.0650 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -0.7780 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 -0.1610 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4340 1.2280 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 1.9690 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 3.3360 -0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 1.8540 0.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -2.1120 0.0950 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 -2.8600 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 -2.2820 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 -1.0220 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5730 -0.7100 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0160 -0.5060 -1.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -3.6070 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -4.3030 1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 -5.5670 1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 -6.1710 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 -5.4920 -1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4710 -4.2450 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 -3.6890 -2.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 -6.0700 -2.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 -5.9640 2.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 -4.9360 3.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -3.9440 2.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 -3.0690 2.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 -7.2380 3.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 -8.3020 3.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 1.9440 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 -0.7330 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0990 3.5840 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6220 2.5080 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 -1.5190 0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 0.1900 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 0.3520 -2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8400 -1.3940 -2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 -7.1450 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 -2.9510 -2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0980 -5.4300 -3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 -4.8190 4.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2870 -7.0330 3.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -7.6170 2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -8.5880 2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -7.9750 4.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4780 -0.2350 -1.6990 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7870 -0.1030 -2.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7340 0.6180 -1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0320 -1.0130 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 -9.5350 3.8510 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5950 -10.2610 4.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -9.9340 3.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 -9.3610 4.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 28 49 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 M CHG 1 45 1 M CHG 1 49 1 M END