PUBCHEM-ZINC03874921 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 49 0 0 1 0 0 0 0 0999 V2000 0.0480 1.4660 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 0.1440 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -0.6350 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -0.1010 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 1.2340 0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 2.0120 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 -0.9370 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1430 -0.9100 -1.6590 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7570 -1.7340 -1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4280 -2.0930 -2.7710 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8180 -2.8240 -3.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7880 -2.7170 -2.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7860 -2.0420 -2.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7570 -4.0860 -2.3320 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8920 -4.9020 -1.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4970 -6.3790 -1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3240 -6.6610 -2.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6620 -0.9350 -3.6270 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6480 -1.0390 -5.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4470 -2.0840 -5.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9450 0.2790 -5.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8500 0.1680 -7.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2570 1.4510 -7.9190 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7330 2.3290 -7.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0640 1.3850 -9.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2030 1.6330 -9.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 2.0720 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 -0.2790 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -1.6630 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 1.6780 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 3.0430 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 -0.5640 0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 -1.9720 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3980 -1.0600 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6070 -2.6440 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9290 -4.6480 -2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6650 -4.8310 -2.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2860 -4.4820 -0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 -0.0460 -3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2340 1.0310 -5.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 0.5900 -5.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -0.6650 -7.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8180 -0.0910 -7.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3750 -7.1070 -1.1600 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9320 1.1410 -9.9230 O 0 5 0 0 0 0 0 0 0 0 0 0 8.7390 1.7070 -7.7080 N 0 3 0 0 0 0 0 0 0 0 0 0 9.0160 1.8040 -8.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2820 0.9170 -7.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9640 2.5930 -7.2500 H 0 0 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 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 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 18 19 1 0 0 0 0 18 39 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 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 46 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 M CHG 1 44 -1 M CHG 1 45 -1 M CHG 1 46 1 M END