PUBCHEM-ZINC05522772 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 0.6100 3.3890 1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 2.3250 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 1.2470 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 1.2250 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7630 2.2960 0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9670 3.3740 1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 0.0640 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1880 -0.1120 -1.6150 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 1.0600 -2.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0190 1.4850 -2.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0850 0.6230 -2.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4020 1.0140 -2.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6670 2.2700 -1.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6180 3.1400 -1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 2.7510 -1.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 -1.3160 -2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 -1.3990 -3.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5430 -2.5590 -1.5150 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1450 -2.6450 -0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 -3.8480 -2.3770 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6380 -3.9080 -2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 -3.9090 -3.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -3.9020 -1.9210 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5200 -4.0130 -2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -2.5700 -1.2610 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5390 -1.7300 -1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -2.5450 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -2.5800 1.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -5.0740 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -5.0400 -1.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 4.2250 1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 2.3270 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 0.4200 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8200 2.2980 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 4.1990 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1020 0.1970 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7130 -0.8320 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4880 0.8690 -3.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 1.8790 -2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 -0.3600 -2.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2200 0.3370 -2.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6930 2.5720 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 4.1200 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4920 3.4420 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -3.0440 -3.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -4.8220 -3.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -5.7490 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2630 -5.6850 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -2.4620 0.2270 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 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 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 25 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 30 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 29 30 2 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 M CHG 1 49 -1 M END