PUBCHEM-ZINC04655055 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 0 0 0 0 0 0999 V2000 0.0130 1.3360 -1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 0.0920 -0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 0.4620 0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -0.4460 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 0.2940 -0.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -1.7490 -0.4850 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9930 -2.2260 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9870 -1.4100 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2790 -1.8840 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5840 -3.1690 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5970 -3.9840 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 -3.5140 -0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9330 -5.3840 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7810 -6.0080 -1.5970 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.4320 -6.1110 -0.0210 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.9000 -5.3330 -2.1180 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.9700 -3.6740 -0.0180 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.8410 -2.9570 0.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2400 -4.8060 -0.3780 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8360 -0.9040 -1.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 1.7250 -1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 1.0720 -2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 2.0960 -1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 1.2230 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -0.4240 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 0.8520 0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -2.3560 -0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7490 -0.4060 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0520 -1.2500 0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -4.1490 -1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -1.1880 -2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 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 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 31 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END