PUBCHEM-ZINC02980726 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 1.0720 2.2380 0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 0.8720 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 0.0200 0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 0.5340 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4390 1.9000 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3550 2.7520 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4220 -0.3950 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8200 -0.6620 -1.4630 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2430 -1.7850 -1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7060 -2.1130 -2.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8550 -3.0200 -2.7530 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3020 -3.8780 -4.0970 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4820 -4.5880 -3.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1260 -4.5140 -4.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7730 -2.7080 -5.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0630 -2.6270 -6.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4320 -1.7100 -7.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5120 -0.8740 -7.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2210 -0.9540 -6.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8490 -1.8690 -5.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6060 -1.9520 -3.8390 N 0 3 0 0 0 0 0 0 0 0 0 0 11.6290 -1.3080 -3.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2050 -2.6650 -2.9370 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2250 2.9030 0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 0.4700 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 -1.0470 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4420 2.3020 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5110 3.8190 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2810 0.0490 0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1790 -1.3490 0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0560 -1.3070 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9540 -2.7050 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8930 -2.5920 -3.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9950 -1.1940 -3.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3540 -3.1190 -1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2200 -3.2800 -6.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8780 -1.6460 -8.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8010 -0.1570 -8.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0650 -0.3020 -5.9070 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 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 33 1 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 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END