CHEMSTAR-ZINC03991748 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 0.0410 1.5800 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 0.0760 -1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -0.5460 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 -1.9310 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.6140 -0.9110 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -1.9890 -2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -0.6670 -2.1540 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -2.7360 -3.2380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 -4.3490 -3.1600 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 -4.8150 -4.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -4.9080 -2.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 -4.4830 -2.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 -4.4910 -3.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4820 -4.5960 -2.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6930 -4.6940 -1.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6100 -4.6860 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 -4.5860 -1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9940 -4.8000 -1.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9390 -5.4500 -1.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6400 -6.0260 -2.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3390 -5.4640 -1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6860 -4.8040 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9940 -4.8210 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9620 -5.4900 -0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6240 -6.1470 -1.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3210 -6.1320 -1.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6840 -6.8740 -2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3630 -5.5050 0.1010 N 0 3 0 0 0 0 0 0 0 0 0 0 -13.2790 -5.4470 -0.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6010 -5.5740 1.2930 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0640 1.9430 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 1.8840 -2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 2.0000 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 0.0370 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -2.4460 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.3140 -4.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 -4.4140 -4.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3220 -4.6010 -3.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7710 -4.7610 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -4.5830 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2160 -4.4050 -0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9320 -4.2820 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2640 -4.3110 1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0600 -6.6410 -2.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1950 -6.1710 -2.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2200 -7.6590 -2.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4050 -7.3180 -1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 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 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END