PUBCHEM-ZINC02461562 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 0.0210 1.1820 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -0.1990 0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -0.8330 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 -0.0780 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 1.3150 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 1.9370 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7970 -0.7500 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8620 -1.9630 0.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 -0.0190 0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1290 -0.6260 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3010 0.1440 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5380 -0.4780 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8510 0.1770 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7790 -0.8040 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0840 -2.0260 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7600 -1.7970 -0.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6910 -3.2930 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8950 -4.4420 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4910 -5.6580 -0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8750 -5.7640 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6680 -4.6380 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0940 -3.4110 -0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5090 -7.0880 -0.9880 N 0 3 0 0 0 0 0 0 0 0 0 0 11.7600 -8.1590 -1.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8220 -7.1930 -1.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2150 -2.1110 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1820 -2.7550 -0.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3280 -2.7410 1.3010 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5150 -4.1940 1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6130 -4.6530 2.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3690 -4.4120 3.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 1.6740 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 -0.7810 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 -1.9110 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9050 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 3.0140 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8670 0.9430 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2400 1.2200 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0400 1.2290 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8510 -0.6770 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8180 -4.3620 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8830 -6.5410 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7440 -4.7320 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7140 -2.5350 -0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2850 -2.2330 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6670 -4.6840 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4320 -4.4580 0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8410 -5.7180 2.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -4.0970 3.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3580 -4.6800 4.3900 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 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 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 22 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 42 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 29 30 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END