PUBCHEM-ZINC00450949 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 1.2560 2.1840 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 0.7290 -0.2730 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1930 0.1680 -1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 0.6810 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 0.9450 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8230 0.9000 0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4830 0.5890 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 0.3260 -1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 0.3770 -1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 0.0260 -2.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 -0.3810 -2.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4790 0.5920 -1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8440 0.5410 -0.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 0.1370 0.9790 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -0.3910 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2270 -0.3750 0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 -0.9880 2.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9690 -0.2430 3.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4200 -0.8060 4.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 -2.1070 4.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9130 -2.8510 3.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 -2.3020 2.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4770 -3.1020 1.0840 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0020 -4.2010 1.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 -2.6600 0.0690 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3450 2.2190 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 2.6250 -1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 2.7450 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 1.1880 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 1.1080 1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 0.1750 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2090 -0.3520 -3.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8080 -1.3920 -2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4160 1.6040 -2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5240 0.2980 -1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 0.1250 1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 0.7730 3.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -0.2300 5.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2440 -2.5440 5.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2830 -3.8660 3.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 14 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 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 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 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END