PUBCHEM-ZINC05408605 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 60 0 0 1 0 0 0 0 0999 V2000 -2.0090 1.2950 -0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 0.1250 -1.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1940 -0.7700 -0.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6920 -1.8960 -1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5170 -2.2650 -2.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0870 -3.4460 -3.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8240 -4.2720 -2.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9820 -3.9140 -1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4330 -2.7220 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7410 -4.7640 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4710 -6.2060 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0940 -6.7920 -0.2050 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6850 -6.6120 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3970 -8.2150 -0.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7430 -8.4540 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3300 -9.5170 0.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4160 -7.1370 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7620 -6.9850 0.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3990 -9.2630 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 -9.8740 1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -11.0440 0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 -12.3230 2.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -12.4030 1.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1290 -6.3290 0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -5.7160 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -5.2960 1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -5.5080 2.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5380 -6.0990 3.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 -6.4790 2.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5110 -4.2470 0.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 2.0150 -1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 1.8060 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 0.9490 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 0.4980 -2.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5570 -0.3770 -2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 -1.6510 -3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 -3.7150 -4.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2770 -5.1750 -2.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5750 -2.4310 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 -10.0460 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 -8.8550 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 -9.1150 1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8790 -10.2020 1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 -11.8790 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 -10.7100 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 -13.1670 2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3730 -11.6420 3.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 -12.6700 3.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -11.7820 1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -13.2740 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -12.7040 2.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 -5.5530 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -4.8120 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 -5.1980 3.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3040 -6.9350 2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1370 -7.8830 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 -11.5700 2.1670 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2410 -10.7560 2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 30 2 0 0 0 0 11 12 1 0 0 0 0 11 17 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 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 17 1 0 0 0 0 17 18 1 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 57 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 57 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 29 55 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END