MDPI-ZINC03847523 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 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 0.7320 -0.5080 1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 -1.5390 1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -1.7300 3.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -2.6340 4.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 -2.5260 4.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.5640 4.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -0.6610 3.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2430 -0.7510 2.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 -0.0310 1.7450 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 0.7050 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4070 -1.5080 5.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 -3.3810 6.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 -2.2980 1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -1.9730 0.2370 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7100 -2.4480 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 -2.4900 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 -1.7350 0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -0.4940 -1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -0.7670 -1.2070 O 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 0.5250 -3.3800 4.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0980 0.0810 3.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1610 -2.0590 5.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 -4.1950 5.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 -3.3680 1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7700 -1.9890 2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -0.5180 0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 -0.0460 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9920 -3.7900 -0.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -0.6270 -2.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -0.9450 -3.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9030 -4.0750 -0.4330 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 20 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 31 32 1 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 M END