PUBCHEM-ZINC04959727 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 0.8540 -0.5420 -1.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.1180 -0.3730 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0830 0.9750 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -0.5430 1.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6480 -0.1300 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -2.0470 1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 -2.7370 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 -4.1450 1.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -4.4940 1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -3.1320 1.1520 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -0.4670 3.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 0.3140 4.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 1.6830 4.6570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 2.3240 3.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 1.6560 2.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5640 -0.6220 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -0.3390 0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 0.2300 1.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8040 -0.8220 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9270 -0.1410 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2100 -0.5640 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3640 -1.6700 -0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2600 -2.3640 -1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9730 -1.9440 -1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5960 -2.0790 -1.1900 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -1.6300 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -0.1240 -2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 -0.1830 -1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 -2.2580 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 -4.8650 1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -5.4860 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -0.4520 3.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 -1.4910 3.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 0.2580 4.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -0.1160 5.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 2.3130 3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 3.3700 3.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 2.1310 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 1.6980 2.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -1.0350 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8110 0.7240 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0860 -0.0410 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4120 -3.2320 -1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1290 -2.5240 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 0.1770 2.1930 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0740 0.1510 1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 45 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 45 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 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 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 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END