PUBCHEM-ZINC02685351 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.3770 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0040 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -0.6800 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 0.0370 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4170 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0870 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 3.5670 -0.0560 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0790 4.1580 -0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 4.1940 -0.0670 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7010 -0.6790 -0.0670 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7440 -0.0500 -0.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7240 -1.8970 -0.0630 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2440 -2.4420 -0.0400 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 -2.8790 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 -4.3790 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 -5.0840 -0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -4.9380 -0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 -6.3260 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -7.0760 -0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -8.4460 -0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -9.0720 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2870 -8.3280 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 -6.9580 0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 -6.0250 1.1800 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -9.3990 -1.6290 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 -10.5490 -2.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -8.4870 -2.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -9.8470 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -10.5880 0.6790 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 -10.6140 -0.8010 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -8.6840 0.2970 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9040 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5570 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 1.9740 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 -2.4650 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -2.4710 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 -4.3780 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -6.5890 -1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 -10.1430 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 -8.8200 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 25 26 2 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 10 1 M CHG 1 12 -1 M END