PUBCHEM-ZINC06444880 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7020 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0920 1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.7480 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -3.9650 -0.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.0140 -1.2140 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -2.4620 -2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6700 -1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.0410 -2.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.5140 2.4830 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -1.4020 3.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -0.3360 2.4820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -1.3880 4.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -0.1800 5.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 0.8320 4.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -0.0870 6.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 1.1620 7.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 1.2410 8.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 0.0870 9.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -1.1540 8.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -1.2480 7.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -3.9010 2.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 -4.3650 3.1060 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0600 -4.2190 2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 -5.8490 3.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 -6.3110 3.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1070 -7.6180 3.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3940 -8.1340 3.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5940 -9.4620 4.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5120 -10.2780 4.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 -9.7660 4.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 -8.4370 4.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7290 -11.7010 4.8100 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8600 -12.1520 4.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -12.4200 5.0550 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1710 -3.6050 4.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 2.0640 6.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 2.2070 9.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 0.1550 10.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -2.0510 9.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -2.2180 6.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -3.9640 3.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -4.5380 2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -5.9840 4.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -6.4180 2.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2390 -7.4980 3.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5960 -9.8640 4.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 -10.4050 4.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -8.0360 4.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 -3.6880 5.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 37 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 32 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 37 54 1 0 0 0 0 M CHG 1 34 1 M CHG 1 36 -1 M END