PUBCHEM-ZINC04572733 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.1080 1.5520 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 0.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -0.4880 -1.2510 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6770 0.0210 -1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 -1.9940 -1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -0.2220 -2.4300 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 0.5410 -3.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 -0.4020 -4.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -1.5950 -4.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 0.0790 -5.6530 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 -0.7920 -6.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 -0.4340 -7.6590 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3580 -1.3950 -8.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 -2.6230 -7.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -2.4890 -6.3720 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -0.6800 -2.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 -1.3980 -1.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 -0.3110 -3.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 1.0210 -3.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 1.3660 -4.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9060 0.4250 -5.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 -0.9430 -5.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 -1.3410 -4.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7190 -2.7030 -4.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3450 -3.6320 -4.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1610 -3.2440 -5.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3680 -1.9270 -6.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 1.9880 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 1.8350 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 1.9200 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -0.2550 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -0.4080 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -2.5100 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 -2.3460 -1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -2.1990 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 1.0850 -4.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 1.2480 -3.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 1.0330 -5.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8620 -1.2030 -9.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5580 -3.5390 -8.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 1.7970 -3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 2.4110 -5.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 0.7320 -6.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -3.0170 -3.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2050 -4.6820 -4.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 -3.9980 -6.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0040 -1.6420 -7.0930 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 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 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 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 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 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 M END