PUBCHEM-ZINC06734293 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 0.4270 0.8320 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 0.9250 2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 1.8130 2.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 3.1950 2.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.0190 2.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 3.4740 2.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7330 2.1030 2.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6330 1.2750 2.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 0.4500 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 1.3390 -0.1160 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4340 1.2420 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 1.0360 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9110 1.8760 -0.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2630 1.6930 -0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8740 2.4380 -1.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2500 2.3480 -2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0210 1.5040 -1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4230 0.7590 -0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0430 0.8570 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4660 1.3970 -1.6420 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.9570 2.0660 -2.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1120 0.6400 -0.9030 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4350 2.7030 0.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 3.2480 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -0.2100 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 1.5110 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 1.0020 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -0.1370 2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 1.1320 3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 3.6440 2.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 5.0890 3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4080 4.1170 3.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7330 1.6790 2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 0.2080 2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 0.3950 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 -0.5620 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3960 -0.0210 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5260 1.2800 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2710 3.0930 -2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6930 2.9370 -3.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0090 0.1000 0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6140 0.2710 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 1.1330 0.8950 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7500 2.1390 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 43 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 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 43 1 M END