PUBCHEM-ZINC04654792 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 1.2240 0.0310 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -1.1520 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -1.3550 -1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -2.3890 0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 -0.8460 0.1170 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3180 -0.6420 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 0.4100 -0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 0.6850 -0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 -0.5040 -0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5920 -1.7880 -0.1850 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0920 -2.6300 -0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 -2.0530 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1180 -1.7920 1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3880 -1.6850 2.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4850 -1.9220 1.3230 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2620 -2.0150 2.5690 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7520 -1.4350 3.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4870 -3.4740 3.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2320 -4.1940 3.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6540 -3.9180 4.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4900 -4.5770 5.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 -5.5150 4.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -5.7970 3.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 -5.1390 2.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7050 -1.4800 2.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0880 -1.4700 1.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 -0.2390 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 0.8860 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 0.3520 1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -3.3020 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -2.5310 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -2.2940 1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 1.2930 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 0.2970 -1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 0.9310 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 1.5650 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0400 -0.2660 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 -0.6590 -2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 -2.3630 -1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 -2.9060 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0690 -1.9360 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2000 -3.5250 3.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9590 -4.0390 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 -3.1800 5.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0460 -4.3500 6.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 -6.0230 4.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9930 -6.5230 2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 -5.3610 1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3120 -1.1240 3.4120 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 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 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 M CHG 1 49 -1 M END