MDPI-ZINC04262792 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 1.8000 -2.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2300 1.8160 -1.1600 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6350 2.8100 -2.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6460 2.3310 -3.6650 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5680 1.1060 -3.7630 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6190 0.7580 -4.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9630 1.4850 -3.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5010 2.6920 -3.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8480 2.8800 -4.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3990 4.0000 -4.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7880 4.2000 -4.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3030 5.2920 -5.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4740 6.2240 -5.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1050 6.0630 -5.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5460 4.9440 -5.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1540 4.7440 -5.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6410 3.6200 -4.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 3.4110 -4.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 4.0840 -5.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3200 5.6320 -5.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3030 6.9760 -6.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 0.0020 -2.8600 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9870 -0.2510 -3.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 0.5190 -1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -0.0890 -0.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 -1.1570 -2.9310 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 -2.3880 -2.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 1.9770 -4.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9380 3.9440 -1.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6380 0.6450 -3.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 1.6980 -2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5010 2.1620 -3.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4490 3.4880 -4.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3730 5.4370 -5.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9080 7.0810 -6.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0320 6.3480 -5.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0240 7.6990 -5.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8310 -3.2190 -2.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 -2.4960 -3.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 -2.3860 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 2.7060 -4.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 2.1950 -0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 47 1 0 0 0 0 5 6 1 0 0 0 0 5 31 2 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 19 2 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 28 1 0 0 0 0 26 27 2 0 0 0 0 28 29 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 M END