IBS-ZINC04085658 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 1 0 0 0 0 0999 V2000 -1.4920 -0.2800 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -0.0900 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -0.8690 1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -0.6070 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -0.2920 -1.0910 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6270 -0.7190 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 -0.8850 -2.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5690 -0.1690 -3.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 1.1600 -1.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 1.6890 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 0.9610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7180 3.1530 -0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 3.9920 -1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 5.3450 -1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0550 5.9120 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0260 5.0800 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8510 3.6980 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0660 5.9750 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6840 7.2270 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4860 7.2080 -0.3380 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0110 7.9930 -0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 0.3440 -0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 -1.3260 -0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 0.0080 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 0.9700 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -1.9280 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 -0.7340 1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -0.5010 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -1.6850 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -0.1210 -2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 1.7410 -1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 3.5620 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 5.9790 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5900 3.0560 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9680 5.6820 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2410 8.1190 0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9170 -2.2100 -2.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 -2.5440 -3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 37 38 1 0 0 0 0 M END