PUBCHEM-ZINC06578588 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 -0.0240 1.5140 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 0.2140 -0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -0.5880 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -0.0820 0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 1.2160 0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 2.0130 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 -0.9680 0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 -2.1530 0.6980 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6610 -0.3530 0.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8840 -0.9950 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0320 -0.3070 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3500 -0.7210 -0.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5060 0.0090 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6950 -0.5000 -0.3340 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7050 0.5470 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2110 1.8540 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4510 1.7760 -0.3120 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9760 -2.4790 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 -3.1060 -0.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4570 -3.0420 1.3290 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3980 -2.4380 2.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6150 -3.7830 3.8170 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5690 -4.7880 2.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1430 -4.3380 1.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4630 -5.0600 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4570 -4.2770 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8210 -3.1090 0.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 2.1370 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 -0.1760 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -1.6030 -0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 1.6130 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 3.0210 1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6710 0.6470 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9560 0.7750 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5320 -1.7740 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6450 0.2550 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9080 0.6400 -1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3610 1.8850 1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6890 2.7250 -0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2210 -1.7240 2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4470 -1.9200 2.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6330 -4.6240 2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3570 -5.8500 2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0160 -5.3920 0.2260 O 0 5 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 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 31 1 0 0 0 0 6 32 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 33 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 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 24 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 M CHG 1 44 -1 M END