PUBCHEM-ZINC03107194 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 0.9020 1.4070 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -0.0440 -0.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -0.6360 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 0.0360 1.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -2.1400 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -2.6290 2.6500 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -2.3920 2.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -2.1940 3.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -4.3850 2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 -5.1690 2.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 -6.5440 2.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -7.1450 2.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -6.3480 2.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 -4.9740 2.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 -4.1280 2.0860 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9940 -4.6430 1.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -2.9160 2.1830 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1080 -8.6180 2.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -9.1470 3.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -9.3750 2.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 -10.8370 2.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -11.2610 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5610 -10.7170 0.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 -9.2880 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3340 -8.7630 1.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 1.7910 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 1.7560 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 1.7640 0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -2.5500 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 -2.5230 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5170 -4.7030 3.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 -7.1550 3.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 -6.8070 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6440 -11.3160 2.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -11.1260 2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 -12.3490 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -10.8870 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5890 -8.9570 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 -8.9070 -0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2230 -7.6790 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1640 -9.0300 2.2670 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 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 22 37 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END