PUBCHEM-ZINC05118767 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 0.0770 1.5070 -0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 0.8520 1.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 3.1840 1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 3.4280 2.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 4.9250 2.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 5.2000 3.7820 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 5.4970 5.1640 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4470 6.2840 5.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 6.0150 5.8500 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5630 5.6230 4.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9380 5.2170 3.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5680 4.9710 2.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7700 5.6540 5.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4810 7.5270 6.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9100 8.1990 5.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1570 8.1610 7.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1710 9.5170 7.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9270 9.8330 8.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 8.7090 9.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0740 7.2920 8.2830 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 4.2790 5.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 3.1340 6.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 2.0190 6.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 2.0190 7.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 3.1460 6.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 4.2730 6.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 3.1390 7.0970 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2600 2.1160 7.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 4.1520 6.8130 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0220 0.4410 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 1.8540 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 2.0750 -1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 1.2170 2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -0.1790 1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 0.9030 2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 3.7210 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 3.4970 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 2.9960 2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 2.9280 3.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 5.3690 3.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 5.4280 1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6570 5.5100 6.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 10.2540 6.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0660 10.8320 8.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0920 8.6520 10.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4230 3.0850 5.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 1.1460 6.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 1.1390 7.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 5.1460 5.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 1.7130 0.9220 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4830 1.3860 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 50 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 50 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 50 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 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 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M CHG 1 50 1 M END