PUBCHEM-ZINC05979224 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 60 0 0 1 0 0 0 0 0999 V2000 0.0890 -1.4340 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -1.9450 -0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6470 -1.0780 -1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5390 -0.7990 -2.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 -0.3810 0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 1.1000 0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 1.5630 2.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 3.0110 2.3310 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4510 3.7070 2.5020 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8970 3.3190 3.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0490 5.1530 2.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8430 6.1470 3.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 7.5300 3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2640 8.4010 2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8690 9.7030 2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6280 10.1830 3.7460 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 9.3180 4.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1670 7.9980 4.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1760 5.9030 3.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 5.2420 2.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9010 6.2340 2.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 3.8500 2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 3.5720 2.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3790 3.4950 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0340 3.9140 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8920 3.6810 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1060 3.0310 -0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4610 2.6270 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6130 2.8500 1.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6650 2.0050 0.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -2.2650 -0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -0.6990 -1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -0.9690 0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -2.4180 -1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 -2.6720 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4080 -0.4250 -0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 -2.1190 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 -1.4430 -3.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 -0.9770 -3.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2590 0.2430 -3.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -0.5650 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2930 -1.0230 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 1.6840 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7750 1.3050 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9430 1.1000 2.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 1.2710 2.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4420 8.0800 1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 10.4180 1.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 9.7300 5.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2690 7.3550 5.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6050 6.7510 3.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 4.4190 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6150 4.0120 -2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7790 2.8500 -1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9050 2.5270 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8560 1.9130 1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 -0.7910 -0.7250 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9000 0.0150 -1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 57 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 57 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 5 57 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END