PUBCHEM-ZINC03869570 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 1.0910 2.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 -0.1590 2.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 0.2590 2.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 1.0820 1.2530 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2940 0.4530 0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 2.2540 1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7320 3.4000 1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 4.4530 1.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 4.3270 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0640 3.2220 0.5660 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2270 2.2030 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3140 3.1270 -0.1920 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.5920 2.0790 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1210 3.7550 -1.5750 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3630 3.1980 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4480 3.7050 -2.3390 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.7410 2.6670 -2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5240 4.4240 -1.5190 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.4840 4.3460 -2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6230 3.7700 -0.1380 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.9320 2.7310 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3480 3.8220 0.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6380 4.5090 0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2880 5.1030 1.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1720 5.8010 -1.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2960 4.3530 -3.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7030 5.1130 -1.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 1.8590 3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 0.8210 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -1.0380 2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 -0.3320 3.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 -0.6190 2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 0.8740 3.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 3.4700 2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 5.3610 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5090 5.1430 1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4740 1.3160 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8100 6.3180 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1000 4.3590 -4.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5620 5.5740 -2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.9310 4.5070 0.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5450 4.9950 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 45 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 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 7 1 0 0 0 0 5 45 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 26 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 11 1 M END