PUBCHEM-ZINC05985965 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 -0.2090 0.7960 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 1.5030 2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 3.1650 1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 3.4260 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 4.8500 0.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 5.7470 -0.8230 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3190 5.6320 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 7.1830 -0.4280 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0850 8.1150 -1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 8.7770 -2.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 9.5440 -3.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 10.1470 -4.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 10.0360 -3.7280 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 9.2920 -2.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 8.6480 -1.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 8.3120 -1.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 6.9330 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7590 7.7610 0.9310 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 5.4830 0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8300 5.0120 1.6470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 5.3610 -2.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8960 5.1970 -2.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0720 4.8680 -4.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 4.6950 -4.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 4.8510 -4.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 5.1750 -3.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 4.6970 -5.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -0.2260 0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 1.1300 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 0.8430 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 1.8060 2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 0.4470 2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 2.1140 3.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 3.4750 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 3.7150 2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 3.0220 -0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 2.9290 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 9.6710 -3.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 10.7530 -4.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 9.2240 -2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 8.0770 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 7.6270 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7810 5.3410 -2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0760 4.7560 -4.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 4.4430 -6.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 5.2930 -2.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 4.5850 -6.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 1.6990 1.5210 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4100 1.4030 1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 48 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 48 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 48 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 16 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END