MDPI-ZINC03846063 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0140 -0.3990 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -0.5420 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -1.9520 0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 -1.7660 -0.7730 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6200 -1.6030 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -0.5270 -1.2360 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0520 -0.8040 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 0.5290 -1.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 0.3140 -1.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -2.9980 -1.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 -2.7840 -3.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 -4.2260 -1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.0830 1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.6080 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 -2.2840 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 -2.6630 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -3.1530 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -3.6620 -3.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 -1.9090 -3.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 -2.6300 -3.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 -4.3790 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 -5.1050 -1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9350 -4.0720 -1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 1.7090 -2.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 2.3540 -2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 29 30 1 0 0 0 0 M END