MDPI-ZINC03850128 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 0.6240 -1.0780 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.3540 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 -0.9740 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -0.4920 0.0810 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9730 0.1380 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 -1.9290 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 -2.3010 -1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8230 -3.6200 -1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 -4.5660 -0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 -4.1930 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6900 -2.8760 0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 -0.0540 1.4590 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3230 -0.3900 2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 -0.6600 1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9600 -0.1080 3.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1670 1.4030 2.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8130 2.0870 2.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 1.4540 1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 2.1340 0.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 1.1040 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 1.5620 1.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 -1.0030 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -0.6200 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -2.1280 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -2.0080 -1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -0.4080 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 -0.9480 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6350 -1.5620 -2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2640 -3.9100 -2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 -5.5960 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8820 -4.9320 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -2.5860 1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 -0.3990 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 -1.7440 1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9140 -0.5870 3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 -0.3150 3.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8210 1.6160 2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6220 1.7810 3.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9650 3.1500 2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 1.9520 3.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 1.8960 -0.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 2.8240 -0.9100 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 20 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 41 42 1 0 0 0 0 M END