MDPI-ZINC03848441 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 61 0 0 0 0 0 0 0 0999 V2000 -1.5960 -0.9780 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 -2.0250 -1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -3.1360 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -4.0550 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -4.9730 1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -4.9640 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 -4.0450 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -3.1140 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 -2.1120 -1.1780 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4170 -1.4340 -1.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -0.3910 -2.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8790 -0.0280 -2.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9550 -0.7560 -2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7030 -1.7920 -1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 -2.5650 -0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3060 -3.6990 -1.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3640 -4.4140 -1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9630 -4.0090 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5050 -2.8840 0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -2.1580 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0990 1.0840 -3.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 1.5170 -4.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0590 2.5860 -5.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 2.7590 -5.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 1.8410 -4.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 3.7760 -6.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 3.8480 -6.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 4.8020 -6.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 5.6860 -7.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 5.6190 -7.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 4.6750 -6.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 6.8820 -8.4750 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -2.5860 -2.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5720 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 -0.1730 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 -1.4420 0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 -4.0600 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -5.6960 1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 -5.6810 1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 -4.0440 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 0.1440 -2.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9680 -0.5120 -2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8390 -4.0170 -2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7260 -5.2930 -1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7910 -4.5720 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -2.5720 1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0970 -1.2780 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2760 1.1130 -4.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 3.1620 -5.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 3.1590 -5.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 4.8580 -6.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 6.3110 -8.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7810 4.6270 -6.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 -1.7780 -2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 -3.3380 -2.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 -3.0400 -1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 M CHG 1 9 1 M END