PUBCHEM-ZINC05801014 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 0.2180 1.8500 1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 1.2290 2.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 0.4210 1.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 0.2350 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 0.8530 -0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 1.6590 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -0.5720 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 0.0230 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0830 -0.7170 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -1.9030 -0.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1900 0.2830 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3500 -0.0660 0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6160 1.5080 0.4310 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2290 1.4300 0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4200 2.3220 0.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3720 2.7170 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7350 2.7930 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4770 3.9690 0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8730 5.1010 0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5290 5.0560 1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7900 3.8800 1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4650 -1.9250 0.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 -2.6810 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -4.1490 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -4.9870 -0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -6.4740 -0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 -6.8510 -0.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 2.4840 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 1.3760 3.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -0.0550 2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 0.7160 -1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 2.1410 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2690 1.9550 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5280 3.9920 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4460 6.0120 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0450 5.9350 1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 3.9140 1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3230 -2.4560 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 -2.6130 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -2.2640 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 -4.2140 -1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 -4.5610 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -4.9240 0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -4.5740 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -7.1450 -0.6980 O 0 5 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 M CHG 1 45 -1 M END