PUBCHEM-ZINC05353580 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 44 0 0 1 0 0 0 0 0999 V2000 0.4170 1.6080 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 0.3080 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 -0.8520 0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 0.5340 -1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -0.0300 -1.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 -0.2990 -1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 -0.2910 -0.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 -0.5810 -2.4570 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 -0.9170 -2.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 -1.0310 -3.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 -1.0580 -4.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0980 -1.1280 -4.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7420 -1.2100 -3.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7760 -1.1620 -5.4650 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1150 -1.6500 -6.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 0.2420 -5.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0420 1.1790 -6.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7520 2.2280 -5.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6790 3.0870 -5.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8860 2.9050 -6.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1650 1.8650 -7.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2380 1.0060 -7.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1270 -1.9250 -5.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5870 -2.0270 -4.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 1.4870 0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 2.4010 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 1.9510 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -0.6650 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 -1.7890 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.0170 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 1.3340 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -0.3650 -1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 0.7990 -0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 -0.5560 -3.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 -0.1350 -2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4770 -1.8730 -2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8620 0.7010 -5.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7920 0.1790 -6.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 2.3770 -4.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4610 3.8940 -4.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0490 3.5690 -6.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5440 1.7170 -8.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4400 0.1930 -8.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5970 -2.3410 -6.4720 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 M CHG 1 44 -1 M END