PUBCHEM-ZINC06931842 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 0.0110 1.5700 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 0.3910 -0.0820 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4810 -0.2950 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 0.9730 -1.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 0.8570 -1.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -0.3690 0.4850 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 -1.1540 1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 -1.3210 2.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 -1.8180 1.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 -1.4030 3.3180 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4920 -1.5240 4.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4860 -2.2100 3.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4240 -3.4140 3.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6560 -1.4870 3.7610 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4840 -0.2230 3.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8400 0.3190 3.3290 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.4320 0.7620 3.5010 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7590 0.5260 3.5880 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5220 1.5720 3.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9800 1.4090 3.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7830 2.5500 3.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1710 2.4130 3.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7510 1.1440 3.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9460 0.0040 3.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5630 0.1380 3.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8240 -1.0160 3.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 2.1360 0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 2.2600 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 1.2340 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 -0.2540 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 -1.6180 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 -2.9010 1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0770 1.7060 3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1190 2.5980 3.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3500 3.5460 3.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8030 3.2970 3.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8320 1.0420 3.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3940 -0.9850 3.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8710 -0.7600 3.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 1.4640 -2.1600 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 40 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 26 39 1 0 0 0 0 M CHG 1 40 -1 M END