PUBCHEM-ZINC04763657 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -1.2100 2.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -0.1630 1.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -0.6800 2.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 -0.1960 2.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3790 0.9950 3.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6880 1.4380 3.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6950 0.6910 2.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3940 -0.5010 2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 -0.9470 2.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0950 1.1660 2.8400 N 0 3 0 0 0 0 0 0 0 0 0 0 8.3600 2.2160 3.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9830 0.5070 2.3280 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 -0.6430 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 -0.3410 -2.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 -1.1090 -1.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9840 -1.2240 -2.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3780 -1.7580 -2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4280 -0.8850 -2.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7070 -1.3750 -1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9340 -2.7390 -1.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8840 -3.6120 -2.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6060 -3.1220 -2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 -0.3280 3.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6390 -1.7700 2.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 1.5790 3.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9230 2.3700 3.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1810 -1.0850 1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 -1.8800 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -0.7520 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 -0.2430 -2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 -1.9060 -3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2510 0.1800 -1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5280 -0.6930 -1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9330 -3.1220 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0620 -4.6770 -2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7860 -3.8040 -2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 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 23 40 1 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 M CHG 1 14 1 M CHG 1 16 -1 M END