PUBCHEM-ZINC03872463 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 69 0 0 1 0 0 0 0 0999 V2000 -0.9540 2.1600 -2.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 0.7140 -2.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 0.2830 -3.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 -0.2010 -1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 -1.6900 -1.7960 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7500 -2.1070 -2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -2.5250 -0.5860 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4790 -2.4110 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 -3.9950 -0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -4.3070 -2.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2300 -4.8700 0.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -6.3210 -0.0680 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0100 -6.5350 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -7.0590 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 -6.7760 -1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -6.7420 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1460 -6.7490 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3550 -5.9550 2.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 -8.0630 1.2050 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1810 -8.6780 2.3650 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9750 -8.0480 3.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7080 -8.8510 2.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4250 -7.4990 2.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1270 -9.5900 0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 -10.0280 2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1190 -10.7280 1.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2930 -10.3290 3.8990 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 -11.5660 4.4160 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6670 -11.5780 4.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7110 -11.5530 5.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -10.1920 6.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 -10.2170 7.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -12.8800 3.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 -12.8790 4.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 -2.0680 -0.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 2.8340 -2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 2.5020 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 2.2580 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 0.6960 -3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 1.0000 -3.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 0.2150 -2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -0.6900 -3.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 -0.1200 -0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 0.1890 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 -4.5400 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -8.1390 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -5.7340 -1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -7.4090 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 -6.9890 -2.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -6.9890 1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 -7.3300 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -5.6850 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3770 -8.6780 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0600 -9.4480 3.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1710 -6.8630 1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5120 -7.6370 2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1590 -6.9620 3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6870 -10.5910 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2160 -9.7140 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8320 -9.0450 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -9.6280 4.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 -11.8080 6.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -12.3260 6.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7470 -2.5960 0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9870 -9.2040 6.0660 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.6260 -13.8270 3.6660 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.7040 -1.8350 -2.8860 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8080 -2.8540 -3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4620 -1.3600 -3.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 -1.5070 -2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 39 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 67 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 35 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 45 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 33 1 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 32 2 0 0 0 0 31 65 1 0 0 0 0 33 34 2 0 0 0 0 33 66 1 0 0 0 0 35 64 1 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 67 70 1 0 0 0 0 M CHG 1 65 -1 M CHG 1 66 -1 M CHG 1 67 1 M END