PUBCHEM-ZINC05249648 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 1.0870 1.6560 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 0.1320 1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 -0.3600 1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -1.8880 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -2.4450 0.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -2.0240 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -0.5000 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8070 -3.8260 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 -4.4620 -1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 -5.8510 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 -6.5220 -0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -5.8840 1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 -4.5630 1.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -6.6170 2.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 -8.0780 2.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -8.6380 3.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -8.3510 3.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -6.5260 -2.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 -3.6780 -2.3370 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8060 -3.2980 -2.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8270 -3.4150 -3.1900 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4280 1.9430 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 2.0050 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 2.1050 1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -0.1560 2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9210 -0.0370 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 0.0530 1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6080 -2.2430 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -2.2100 2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -2.4770 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -2.3450 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 -0.1870 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -0.1790 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -6.1620 2.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -8.4730 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -8.3730 1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -9.7170 3.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 -8.1760 4.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -8.6780 4.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0600 -6.0310 -3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8560 -7.4950 -2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END