MDPI-ZINC03847201 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.6080 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 0.1580 -2.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 -0.4520 -3.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 -1.8270 -3.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -2.6010 -2.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -1.9960 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -2.7550 -0.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -4.1730 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 -2.5190 -4.4150 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8600 -3.4870 -4.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5390 -1.6030 -4.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 0.4230 -4.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -0.4260 -6.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -1.6980 -6.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -2.6790 -5.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -3.8300 -5.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -4.0000 -6.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 -3.0060 -7.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -1.8610 -7.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 -3.1590 -8.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -5.1310 -6.3430 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -6.1070 -5.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 1.2360 -2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -3.6780 -2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -4.6570 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -4.4840 -1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -4.4600 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3140 -1.4410 -4.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9760 -2.0560 -5.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 1.1600 -4.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2670 0.9440 -3.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 -0.4260 -7.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 0.4450 -6.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -4.5980 -4.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -1.0910 -8.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -2.8150 -7.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -6.4420 -5.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -5.6650 -4.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 -6.9570 -5.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 -0.3290 -5.3300 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 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 28 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 45 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M END