PUBCHEM-ZINC04549871 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 1.0200 1.5740 0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 0.1200 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 -0.8480 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 -2.2040 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -2.5990 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -1.6450 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -0.2900 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -3.9780 0.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -4.6830 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 -4.9090 0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 -4.3260 0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 -5.8060 1.8200 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 -6.3080 1.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2750 -5.9680 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5520 -6.5070 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8120 -7.3860 2.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7950 -7.7340 3.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5030 -7.2040 2.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 -7.5870 3.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 -7.0580 3.7350 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4250 -4.8540 -1.1860 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -6.0500 -1.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -3.9710 -2.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 -5.3840 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 1.8500 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 2.2000 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 1.7940 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.5480 1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 -2.9430 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 -1.9590 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 0.4420 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -5.6480 1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 -4.1140 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3170 -6.2050 2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 -5.2890 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3440 -6.2390 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8070 -7.8040 2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0080 -8.4210 3.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 -5.9650 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -6.0130 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 -4.5120 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6810 -8.3860 4.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 2 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 M CHG 1 20 -1 M END