PUBCHEM-ZINC05548809 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -1.9760 0.6190 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.4270 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -0.6970 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -1.6560 0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 -2.3530 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -2.0900 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -1.1210 -0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9150 -0.8610 -1.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.7760 -2.3870 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -4.0740 -2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -4.8020 -3.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 -6.1940 -3.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -6.8690 -4.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -6.1740 -6.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -4.7980 -6.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -4.1030 -4.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -4.0660 -7.3580 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4010 -4.6770 -8.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -2.8530 -7.3670 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6100 -8.3700 -4.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -8.9980 -4.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -9.2780 -6.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 -9.8540 -6.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 -10.1510 -5.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 -9.8720 -3.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -9.3000 -3.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 1.5890 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 0.3570 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 0.6690 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -0.1560 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 -1.8600 1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 -3.1000 -0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 -0.1690 -2.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -4.6160 -1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -6.7400 -2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -6.7120 -6.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -8.6800 -5.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 -8.6920 -3.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -9.0460 -7.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0610 -10.0720 -7.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2520 -10.6000 -5.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2050 -10.1030 -2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -9.0850 -2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -2.7520 -4.8860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -2.2770 -4.8600 H 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END