PUBCHEM-ZINC05733126 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 71 0 0 1 0 0 0 0 0999 V2000 -1.6810 0.1630 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 -0.9640 -0.2540 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -1.9460 0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -2.8310 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -2.3700 -1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 -1.2020 -1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -0.4880 -2.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -0.9770 -3.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -2.1370 -3.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -2.8400 -2.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -4.0590 0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -3.8520 1.5950 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4430 -5.2290 2.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 -6.3050 1.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 -5.1390 3.5950 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1140 -6.2980 4.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4780 -6.9050 4.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8570 -8.0050 5.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7450 -7.9040 6.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8270 -9.1230 6.6840 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4090 -9.3310 7.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 -10.0280 6.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3820 -9.3570 5.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4780 -10.0760 4.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2190 -11.4290 4.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8580 -12.0660 5.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7630 -11.3770 6.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -12.0090 3.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 -13.3860 3.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -3.3710 0.8530 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7610 -3.1840 1.7690 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5970 -3.6640 2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7480 -1.6710 2.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7200 -1.2290 2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 -1.1190 0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 -2.0750 0.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 -1.3550 3.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 -1.8210 2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8430 -3.5370 1.0690 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8290 -4.2740 -0.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8720 -2.9090 2.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 1.0820 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 0.1240 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 0.1110 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -1.9320 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 0.4220 -2.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -0.4380 -4.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 -2.4970 -4.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 -3.7300 -2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -4.5360 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -4.7780 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8830 -4.2040 3.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 -5.9670 5.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 -7.0360 4.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4800 -7.2880 3.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2440 -6.1190 4.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3280 -7.0660 6.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -9.5820 3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6780 -13.1130 5.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2570 -11.8820 7.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 -13.6920 3.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -14.0020 3.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -13.5510 4.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 -0.1560 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9330 -1.0200 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8180 -4.2450 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -3.0990 2.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 46 1 0 0 0 0 8 9 2 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 48 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 18 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 57 1 0 0 0 0 20 21 1 0 0 0 0 20 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 24 25 1 0 0 0 0 24 58 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 59 1 0 0 0 0 27 60 1 0 0 0 0 28 29 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 31 1 0 0 0 0 30 36 1 0 0 0 0 30 40 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 39 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 37 1 0 0 0 0 35 36 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 37 38 1 0 0 0 0 40 66 1 0 0 0 0 41 67 1 0 0 0 0 M CHG 1 39 -1 M END