MDPI-ZINC01843139 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 0 0 0 0 0 0999 V2000 -1.1810 1.0110 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 -0.4140 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -0.6220 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 -1.9900 1.1900 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2930 -2.9500 1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -2.1970 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 -2.1890 2.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 -3.6490 2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 -3.9220 1.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 -5.1730 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2160 -6.0110 2.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4200 -5.5240 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 -6.8180 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -7.1400 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1140 -6.1820 -2.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 -4.8970 -1.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7620 -4.5640 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 1.7240 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 1.1590 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 1.1650 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 -1.1270 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -0.5680 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 0.0910 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -0.4680 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -2.8020 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -3.9650 1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 -2.7960 2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 -1.5920 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -3.2500 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -1.9040 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 -1.5400 2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 -1.9460 3.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6740 -3.8300 3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -4.3030 2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6680 -7.5670 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 -8.1410 -1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7750 -6.4390 -2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8810 -4.1540 -2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -3.5620 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 M CHG 1 4 1 M END