PUBCHEM-ZINC04450522 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 0.2440 1.0850 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -0.3080 -0.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -0.7800 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 0.0290 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 -0.5340 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7600 -1.9240 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 -2.7380 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -2.1760 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 -2.8910 0.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -4.3140 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -4.8880 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 -5.9650 0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 -6.5150 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 -5.9940 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 -4.9370 -0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 -4.3880 -0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9170 -6.5210 -0.3000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.8660 0.3390 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5500 1.4670 -1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9790 1.6670 -2.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7810 0.7300 -3.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1340 0.9380 -4.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6660 2.0770 -5.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8850 3.0000 -4.7880 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5620 2.7770 -3.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 1.2690 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 1.4090 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 1.6650 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 1.1080 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 -2.3940 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 -3.8090 0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 -4.6060 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 -4.7140 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -6.3840 1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 -7.3440 1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0160 -4.5470 -1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 -3.5610 -1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6880 -0.1240 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6530 1.3160 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2890 2.4210 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3510 1.0020 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1440 -0.1600 -2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7600 0.2290 -5.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9130 2.2850 -6.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9340 3.5480 -3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3510 0.5810 -1.2490 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5830 0.9780 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5590 -0.3250 -1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 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 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 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 25 45 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 M CHG 1 46 1 M END