PUBCHEM-ZINC06446731 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 56 0 0 0 0 0 0 0 0999 V2000 -0.0390 1.2500 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -0.1340 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 -0.7660 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 -0.0040 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 1.3980 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 2.0120 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 -0.6680 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9960 -0.2110 -0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9360 -1.1510 -0.3320 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8670 -1.1510 -0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 -2.0910 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0390 -1.7880 0.6360 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9850 -3.2710 1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3480 -3.5000 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9640 -4.6090 1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2420 -5.4990 2.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8970 -5.2820 2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2650 -4.1750 1.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1380 -6.2400 3.1680 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7420 -7.2960 3.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 -6.0350 3.4090 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1770 0.9350 -1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3090 1.7640 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4760 2.8720 -2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 3.1950 -3.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4120 2.3800 -3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 1.2660 -2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7080 4.2990 -3.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7480 4.3150 -4.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0440 5.4710 -5.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1030 5.4840 -6.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8680 4.3470 -6.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5750 3.1930 -5.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5220 3.1760 -4.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 1.7390 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 -0.7190 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -1.8450 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2530 1.9930 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 3.0900 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9110 -2.8080 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0110 -4.7880 1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7320 -6.3670 2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2170 -4.0040 2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0360 1.5170 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3380 3.5060 -1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 2.6370 -3.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 0.6370 -2.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4470 6.3600 -5.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3340 6.3840 -6.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6950 4.3590 -7.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1740 2.3060 -5.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2970 2.2760 -4.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 11 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 18 2 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 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 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 31 49 1 0 0 0 0 32 33 2 0 0 0 0 32 50 1 0 0 0 0 33 34 1 0 0 0 0 33 51 1 0 0 0 0 34 52 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END