PUBCHEM-ZINC04115975 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 60 0 0 0 0 0 0 0 0999 V2000 -0.1890 1.6220 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 0.2840 0.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 -0.3550 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4710 -1.6660 0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 -2.4380 0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8210 -1.9090 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 -0.5890 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6300 0.1820 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0360 -2.6900 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1420 -4.0750 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3430 -5.3410 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1780 -6.7150 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3610 -7.4620 -0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6340 -6.8510 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7970 -5.4600 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6240 -4.7140 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1220 -3.1910 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3480 -2.1700 0.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4080 -2.2480 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9600 -2.0070 1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0930 -0.4050 3.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8650 0.9040 3.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1760 0.8320 2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9390 0.3960 0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1610 -0.9090 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 1.9830 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 1.6690 -1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 2.2750 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -2.0920 1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 -3.4500 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6860 -0.1390 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 1.1960 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4480 -4.8950 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1980 -7.1740 -0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2970 -8.5470 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5190 -7.4840 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7740 -4.9960 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2110 -2.5230 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9500 -1.3320 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5450 -2.8630 1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1220 -1.8480 2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1150 -0.2990 3.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6410 -1.2350 3.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0700 1.1450 4.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2500 1.7190 2.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8520 0.1210 2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6720 1.8090 2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9020 0.2790 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3900 1.1830 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7110 -1.7440 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9250 -1.1420 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8490 -0.7690 1.5580 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.3420 0.0300 1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4780 -4.3030 -0.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.5960 -1.1940 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4090 -3.3070 0.0160 N 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 30 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 33 1 0 0 0 0 10 54 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 11 54 1 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 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 56 1 0 0 0 0 17 18 1 0 0 0 0 17 54 2 0 0 0 0 17 56 1 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 56 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M CHG 1 54 1 M END