PUBCHEM-ZINC05477141 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 -0.7160 -1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 -1.2720 -2.8910 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -1.1920 -3.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -0.7630 -2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -0.5970 -2.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 0.4690 -3.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -1.6260 -2.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6670 -1.3900 -2.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3470 -2.6980 -3.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2960 -0.8710 -1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -1.5180 -4.7620 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 -1.9350 -5.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 -2.0240 -5.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 -2.2900 -7.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -2.7220 -7.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 -4.0540 -7.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 -4.4500 -8.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4080 -3.5160 -9.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0360 -2.1840 -9.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9270 -1.7890 -8.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5940 -3.9400 -10.0850 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9220 -5.1130 -10.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2410 -3.1170 -10.7060 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9640 -0.5210 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7990 -0.6500 -3.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2160 -3.4380 -2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4110 -2.5210 -3.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8990 -3.0680 -3.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1650 -1.6110 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8120 0.0610 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3600 -0.6940 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -1.4470 -5.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -3.1040 -7.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -1.4200 -7.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 -4.7840 -7.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9650 -5.4900 -8.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6100 -1.4540 -9.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -0.7490 -8.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 -1.4460 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9480 -0.2510 -0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 0.2760 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END