PUBCHEM-ZINC06547667 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 -0.0540 1.5100 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -0.0200 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.4930 1.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -1.8220 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -2.5660 0.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 -2.3870 2.5040 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5480 -2.0330 2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 -1.9280 3.7860 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8300 -0.8400 3.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 -2.4930 4.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -1.7040 5.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0910 -2.2220 6.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -3.5300 7.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 -4.3190 6.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -3.8000 5.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 -2.3920 3.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -3.8500 2.4360 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 -4.5010 1.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -3.8760 1.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -6.0070 1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 -6.4890 0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5780 -7.9940 0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 -8.6200 1.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5170 -8.6450 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5620 -10.0440 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3850 -10.7770 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4330 -12.1570 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 -12.8090 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -12.0820 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 -10.7010 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 -12.7830 -0.0860 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1640 -14.0010 -0.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1620 -12.1430 -0.1470 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9670 1.8910 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 1.8650 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 1.8640 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 -0.4000 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -0.3740 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 -0.6820 5.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7840 -1.6050 7.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 -3.9350 8.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 -5.3410 6.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -4.4150 4.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -3.3540 3.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 -4.3510 2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 -6.4180 2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -6.3410 1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 -6.0780 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5330 -6.1540 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1620 -8.1450 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 -10.2690 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -12.7280 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6860 -13.8880 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7010 -10.1340 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 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 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 54 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 M CHG 1 31 1 M CHG 1 33 -1 M END