MDPI-ZINC03847148 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 -0.1250 1.4830 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -0.0050 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -0.8480 1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -2.2510 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -2.8280 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -1.9840 -1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -0.5850 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 0.2440 -2.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 0.4970 -2.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 -2.5660 -2.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -4.3290 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 -3.0720 2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 -4.1110 2.2230 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8870 1.8800 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 1.9750 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 1.7490 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -0.4200 2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 0.9870 -1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.4230 -2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9380 1.1730 -3.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -3.3960 -2.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -1.8370 -3.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -2.9180 -2.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 -4.7510 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -4.6240 -1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 -4.7870 0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -2.6360 3.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 2 0 0 0 0 M CHG 1 13 -1 M END