PUBCHEM-ZINC00717583 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -0.6360 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 0.1000 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -0.5450 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -1.9290 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 -2.6760 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -2.0360 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -2.8300 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -2.2700 -0.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -4.1770 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 -4.9650 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 -6.3370 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -7.1780 -0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 -6.0300 1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 -5.1550 1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7540 -8.2470 0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0300 -8.5720 2.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 -9.6570 2.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6670 -9.9550 4.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5370 -9.1690 4.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1540 -8.0840 4.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9040 -7.7880 3.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9710 -2.6080 0.0360 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.9960 -1.9500 0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0280 -3.8240 0.0300 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.1790 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 0.0330 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 -3.7550 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -4.6240 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 -4.4450 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -6.8400 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -6.2100 -1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -8.1600 -1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 -6.6800 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 -5.5380 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 -6.1790 2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 -4.1840 1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -5.6400 1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 -7.7730 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5260 -9.1650 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 -10.2720 2.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1850 -10.8030 4.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7350 -9.4010 5.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8340 -7.4690 4.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3890 -6.9430 2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 -7.3310 0.7450 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 50 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END