PUBCHEM-ZINC05976918 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 1.1600 1.9620 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 0.5070 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -0.1290 -1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -0.3240 1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 0.1530 2.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -0.7730 3.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 -0.5310 4.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 -1.4660 5.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 -1.3410 6.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 -0.2650 7.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 0.6640 6.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 0.5330 4.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 -0.1660 8.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5290 -1.1880 9.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 1.1050 8.8090 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3620 1.4390 10.0390 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1060 0.7090 10.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8780 1.5230 9.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5430 0.1860 9.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8990 -0.4470 8.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4620 -1.6530 8.8120 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7930 -2.3320 8.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5130 -1.8140 10.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9380 -0.6770 10.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8560 -0.5930 12.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3540 -1.6410 12.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9250 -2.7640 12.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0130 -2.8730 10.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 2.8720 10.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 3.6120 9.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 2.0250 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 2.5110 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 2.4790 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 0.5000 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 -0.1480 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 -1.1590 -1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 0.4280 -2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -1.3740 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -0.3310 1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 1.1500 2.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 0.1730 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -2.3010 5.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -2.0790 7.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 1.4880 6.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 1.2760 4.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 1.9380 8.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3750 2.0600 10.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0820 2.1100 8.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7780 -0.1460 7.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4060 0.2760 12.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2900 -1.5780 14.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3040 -3.5690 12.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4510 -3.7490 10.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2120 3.1220 11.7280 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 29 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 M CHG 1 54 -1 M END