PUBCHEM-ZINC05140694 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 43 0 0 0 0 0 0 0 0999 V2000 -1.1150 0.7180 0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 0.9590 3.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -0.4480 3.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 -0.8290 4.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 2.9370 1.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 3.4420 0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5480 4.9730 0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2140 5.4350 -0.7530 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4090 6.7690 -1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 7.8060 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 9.1550 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 9.5130 -1.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 8.5200 -2.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0240 7.1620 -2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4920 6.1630 -3.2910 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.4290 4.9610 -2.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9250 6.5750 -4.3770 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1920 -0.3610 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 1.0380 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 0.9760 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 1.6700 3.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 1.0210 3.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 -0.4880 3.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -1.1830 2.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 -0.8380 5.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 -0.1630 5.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 3.2100 1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 3.3480 2.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0110 3.0960 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 3.0420 0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0840 5.3290 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 5.3640 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5820 4.7480 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 7.5850 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8360 9.9270 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 10.5610 -2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6830 8.8220 -3.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 1.4130 1.8260 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8310 1.1720 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 -2.2000 5.2630 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6720 -2.4690 6.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 -2.9140 4.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9510 -2.2880 5.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 38 39 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 43 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M CHG 1 38 1 M CHG 1 40 1 M END