PUBCHEM-ZINC06863091 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 0.1280 1.4500 -1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 0.0560 -1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -0.6400 -1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 0.0990 -0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 1.4970 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 2.1750 -1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 2.4310 0.1850 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9810 3.6280 0.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 1.5310 1.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 2.8830 -1.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 3.8810 -2.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0480 4.5120 -2.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8300 3.4410 -3.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3550 2.3680 -2.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2240 1.7820 -1.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9280 4.0530 -4.4250 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3720 3.5660 -5.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8810 2.5900 -6.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5360 4.3660 -6.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7750 3.9990 -7.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9710 4.7470 -8.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2300 4.5220 -7.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0080 4.8830 -5.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8080 4.1450 -5.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -2.1530 -1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 -2.7250 -0.4090 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7270 1.9640 -2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 -0.5020 -2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1460 -0.4290 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 3.2590 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 3.3990 -2.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 4.6730 -1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6240 5.2400 -3.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 5.0700 -2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1590 2.9650 -4.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8510 1.5670 -3.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1150 2.8040 -2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6530 1.0730 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5160 1.2420 -2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3900 4.8590 -4.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2600 5.4290 -6.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9460 2.9190 -7.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8790 4.2250 -8.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1450 4.4180 -9.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7460 5.8200 -8.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5340 3.4710 -7.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0530 5.1210 -7.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9070 4.6440 -5.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8490 5.9640 -5.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6570 4.4800 -4.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0310 3.0710 -5.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -2.7410 -1.8900 O 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 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 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 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 24 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 2 0 0 0 0 M CHG 1 26 -1 M END