PUBCHEM-ZINC02559344 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 43 0 0 1 0 0 0 0 0999 V2000 -0.4420 1.2480 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -0.1080 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -0.6140 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 0.0580 2.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 -0.4700 3.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 0.2120 4.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 1.0680 4.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 1.8490 6.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 1.1350 6.9890 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7590 2.2410 8.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9080 1.9190 9.4110 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8900 0.8720 9.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5770 2.8520 10.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2330 3.9380 10.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2320 2.2360 8.8530 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0630 1.3410 8.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8450 0.1400 8.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3390 1.9690 7.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -0.1790 5.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -0.9150 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 1.7640 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 1.8860 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 1.1560 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -1.6210 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -0.1390 3.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 1.1480 2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 -0.3360 2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 -1.5530 3.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 1.2590 4.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 1.8650 6.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 2.8860 5.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 2.1490 8.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 3.2700 8.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5090 3.2050 9.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1650 2.9950 7.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7300 1.3900 6.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0730 1.9760 8.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 0.2700 5.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 0.1220 6.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -1.2670 5.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -0.3800 -1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -1.8930 -1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -1.0860 -1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6990 2.4260 11.4090 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 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 13 1 0 0 0 0 11 15 1 0 0 0 0 13 14 2 0 0 0 0 13 44 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 M CHG 1 44 -1 M END