MDPI-ZINC03848131 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 0 0 0 0 0 0999 V2000 0.4020 1.5060 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 0.0210 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -0.6900 0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -2.1500 0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 -2.9470 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -4.3370 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -4.9560 1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 -4.1840 1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -2.7790 1.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 -2.0260 3.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -1.0980 3.6870 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3630 1.9540 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 1.7760 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 1.9420 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -0.4770 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.1950 1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 -2.4830 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -4.9320 -0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -6.0370 1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -4.6750 2.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0860 -2.4110 3.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 3 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 16 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 17 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 21 2 0 0 0 0 M CHG 1 11 -1 M END