PUBCHEM-ZINC03117649 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 2.5100 0.1620 2.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -1.2200 2.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 -1.5640 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -2.8870 2.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 -3.2350 1.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -2.2640 1.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -0.9440 2.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -0.5930 2.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0630 -2.6460 1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7720 -2.9760 2.7580 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0670 -3.3480 2.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6450 -3.4100 1.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7960 -3.6870 3.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2400 -4.0740 3.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9690 -4.4130 4.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6360 -3.4230 5.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3050 -3.7310 6.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3080 -5.0360 7.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6380 -6.0280 6.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9750 -5.7150 5.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9650 -5.3420 8.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6160 -4.3400 9.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9430 -4.0660 8.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6020 -3.0470 9.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9420 -2.3020 10.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6190 -2.5730 10.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9570 -3.5940 10.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9150 -1.7720 11.7220 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.5000 -0.8750 12.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7500 -2.0110 11.9860 O 0 5 0 0 0 0 0 0 0 0 0 0 -14.0180 -2.7540 9.1160 N 0 3 0 0 0 0 0 0 0 0 0 0 -14.6000 -3.4100 8.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.6000 -1.8560 9.6980 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5690 0.2990 3.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 0.7530 2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 0.4870 3.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 -3.6460 2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 -4.2650 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 -0.1880 2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 0.4380 2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5610 -1.8110 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0660 -3.5120 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -2.9260 3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2980 -4.5220 4.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7930 -2.8210 4.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7380 -3.2390 3.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2430 -4.9400 3.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6340 -2.4080 5.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8250 -2.9580 7.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6380 -7.0440 6.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4560 -6.4870 4.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4590 -4.6480 8.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4590 -1.5060 10.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9260 -3.8090 10.2810 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 31 1 0 0 0 0 25 26 2 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 54 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M CHG 1 31 1 M CHG 1 33 -1 M END