PUBCHEM-ZINC05118768 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 -0.0870 -0.0550 1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 0.5510 3.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 2.2010 2.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5570 2.9090 3.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 4.3390 2.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7620 4.9880 3.7660 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 5.6570 4.9740 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7460 4.8970 5.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 6.0360 5.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6830 5.6890 4.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1320 4.9910 3.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8210 4.5060 2.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8760 5.8920 4.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 6.5630 6.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 6.7980 7.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 6.8920 7.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8930 6.1260 7.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8740 6.8720 8.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4960 8.1830 8.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9670 8.5080 8.1910 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 6.8320 4.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 7.8740 3.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 8.9440 3.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 8.9980 4.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 7.9690 4.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 6.8900 5.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 8.0100 5.5080 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7020 9.0960 5.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5710 6.9470 5.9450 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0020 -1.1020 1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 0.3340 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 0.0410 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 1.0000 3.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -0.5230 3.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 1.0190 4.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 2.2120 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 2.6620 2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 2.3600 3.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 2.9360 4.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 4.9300 2.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 4.3210 1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 7.2480 8.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9970 5.0760 7.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8110 6.4670 9.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0460 8.9680 9.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 7.8650 3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 9.7380 2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 9.8390 3.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 6.0980 5.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 0.7480 2.5450 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4250 0.3530 2.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 50 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 50 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M CHG 1 50 1 M END