PUBCHEM-ZINC05112927 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 38 0 0 1 0 0 0 0 0999 V2000 0.0130 1.5890 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 0.0730 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 -0.5700 -0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 0.2160 -1.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 2.1890 0.2090 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1880 1.7610 -0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 3.7150 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 4.4140 1.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 4.1930 -1.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 3.5730 -2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 5.6150 -1.5510 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1290 6.2220 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9470 6.0120 -1.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1370 5.8230 -0.5470 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 6.6170 -1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4260 8.3800 -1.2990 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 5.8490 -2.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 4.9350 -3.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 7.1520 -2.9780 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 7.6180 -4.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 9.1320 -4.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 9.6810 -2.9950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 1.8280 -1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 2.0640 0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -0.3990 -0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 -0.1880 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 5.3990 -2.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 7.0560 -2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4660 6.3600 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7200 6.2700 -2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 7.9120 -2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 7.3800 -5.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 7.0700 -4.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -1.8200 -0.6070 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4090 9.6270 -5.0220 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4130 1.8530 1.6710 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0970 2.4910 2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 0.8800 1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 2.0410 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 36 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 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 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 31 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 M CHG 1 34 -1 M CHG 1 35 -1 M CHG 1 36 1 M END