PUBCHEM-ZINC05525426 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.3670 1.0730 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 1.0640 2.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 1.5040 3.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 3.0170 3.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 3.5280 2.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 3.0900 1.1920 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2480 3.5480 1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 3.5040 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 2.7100 -0.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 4.8050 -0.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 5.2560 -1.6360 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 6.4840 -1.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 7.0650 -3.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 8.4060 -3.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 9.3150 -2.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 10.6180 -3.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 11.0590 -4.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 10.1980 -5.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 8.8850 -4.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 8.0500 -5.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5830 6.7440 -5.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9940 6.2560 -3.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 4.9590 -3.6410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -0.0160 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 1.5320 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 1.3430 -0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 1.4600 2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -0.0290 2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 1.0370 3.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 1.1590 4.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 3.3100 4.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 3.4820 3.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 3.1750 2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 4.6230 2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 5.4320 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 7.1030 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 9.0350 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 11.2870 -2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 12.0710 -4.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7160 10.5650 -6.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7980 8.4140 -6.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 6.1110 -5.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 4.7380 -2.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 1.5660 1.2450 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4590 1.1510 1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 44 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 22 2 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 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 23 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END