MDPI-ZINC03844451 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 0 0 0 0 0 0999 V2000 -0.3980 0.1550 1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -0.9770 2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -1.1640 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 -0.1800 1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 0.9640 0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 1.1230 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 1.8370 0.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 3.1230 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5350 4.0220 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1230 3.7050 -1.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 4.4150 -1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9170 4.0610 -3.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 4.8500 -4.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7450 4.5360 -5.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1550 5.5130 -6.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8770 6.7480 -6.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6280 7.6720 -7.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5880 7.6160 -8.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4490 8.6260 -9.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3450 9.6970 -9.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3920 9.7800 -8.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5150 8.7560 -7.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3660 10.9390 -8.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2570 10.9620 -7.3730 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0770 -2.3890 2.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 -2.5040 2.8490 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4740 0.2790 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -1.7230 2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 -0.3080 1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 1.9820 0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 3.0120 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 3.5790 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 5.0690 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2780 3.8890 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1640 5.4930 -1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0600 4.1060 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9870 4.2960 -3.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7680 2.9980 -3.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8400 4.5910 -5.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4260 3.5170 -5.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2740 5.0770 -7.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0970 5.6930 -6.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8670 6.8060 -8.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 8.5810 -9.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2270 10.4760 -9.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3220 8.8030 -6.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2210 11.8010 -9.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -3.2100 3.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 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 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 2 0 0 0 0 25 26 1 0 0 0 0 25 48 2 0 0 0 0 M CHG 1 24 -1 M CHG 1 26 -1 M END