PUBCHEM-ZINC03175473 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 50 0 0 0 0 0 0 0 0999 V2000 0.0050 1.4030 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 0.0130 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -0.6570 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 0.0310 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 1.4390 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 2.1170 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 2.1250 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 1.4130 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8080 0.0190 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 -0.6560 -0.0830 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0420 -0.7990 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0220 -2.1880 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2240 -2.9170 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4520 -2.2060 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7340 -2.8160 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8750 -2.0330 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7680 -0.6360 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5310 -0.0180 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3720 -0.7840 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2130 -0.1130 -0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1400 0.0030 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0480 -1.2100 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2760 -2.3940 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8890 -3.6340 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2870 -3.6800 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0500 -2.4990 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4320 -1.2470 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1250 -4.4260 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9870 -5.0670 -0.7260 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9460 1.9290 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -0.5530 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 -1.7440 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 3.2040 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 3.2110 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7880 1.9470 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -2.7250 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8350 -3.8980 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4600 1.0650 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3030 0.5880 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2780 0.6100 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3100 -4.5510 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7870 -4.6450 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1350 -2.5640 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0230 -0.3370 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1640 -4.9400 0.6050 O 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 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 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 28 29 1 0 0 0 0 28 45 2 0 0 0 0 M CHG 1 29 -1 M END