PUBCHEM-ZINC04164050 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 1 0 0 0 0 0999 V2000 0.4640 2.0580 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 0.7240 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -0.1660 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 0.2830 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 1.6180 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 2.5040 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -0.6960 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3120 -1.8450 -0.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9160 -0.1840 -0.1900 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1100 -0.8800 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3260 -0.2020 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4900 -0.9130 -0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5760 -2.1920 -0.9120 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3530 -2.7420 -1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1440 -2.1730 -0.8390 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5030 -0.0280 -0.2470 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9200 1.1600 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6040 1.0910 0.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9340 -0.3040 -0.3300 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0510 -1.1330 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5780 -0.5820 1.0630 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7800 -0.6280 1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3630 0.7100 1.2920 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2320 0.6280 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7230 1.1790 -0.1070 C 0 0 3 0 0 0 0 0 0 0 0 0 13.5680 0.6080 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5780 0.8550 -0.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0200 2.6710 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6080 2.9630 -1.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9640 4.2580 -1.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8330 5.1700 -0.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5330 4.4450 -2.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7570 5.7540 -3.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2940 5.9800 -4.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6140 4.9020 -5.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3990 3.5980 -5.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8600 3.3680 -3.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5150 1.6270 1.8530 F 0 0 0 0 0 0 0 0 0 0 0 0 12.4340 -1.5920 0.9730 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3480 2.7500 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 0.3770 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -1.2070 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5120 1.9830 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 3.5410 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0570 0.7760 0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3340 -3.7800 -1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5060 2.0320 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0970 3.2550 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7330 2.9510 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5100 6.6020 -2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4630 6.9970 -5.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0320 5.0800 -6.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6500 2.7560 -5.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7050 2.3410 -3.5020 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 40 1 0 0 0 0 2 3 2 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 42 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 43 1 0 0 0 0 6 44 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 45 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 33 50 1 0 0 0 0 34 35 1 0 0 0 0 34 51 1 0 0 0 0 35 36 2 0 0 0 0 35 52 1 0 0 0 0 36 37 1 0 0 0 0 36 53 1 0 0 0 0 37 54 1 0 0 0 0 M CHG 1 39 -1 M END