MDPI-ZINC03850375 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 0 0 1 0 0 0 0 0999 V2000 0.7860 0.6730 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -0.7280 0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -1.4750 1.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -1.0710 -0.3020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -2.3580 -0.2710 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7800 -3.1290 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 -2.2860 0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 -2.0090 2.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5090 -1.1200 2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4690 -0.9160 4.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5200 -1.5960 4.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -2.4850 4.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 -2.6960 2.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 -3.1170 5.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -3.7160 4.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 -1.4570 6.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 -0.4980 6.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 0.2830 6.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 -0.5380 8.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -2.7560 -1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -1.7830 -2.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 1.0560 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 0.6620 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 1.3380 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 -0.4430 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 -1.5140 0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3130 -3.2300 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 -0.5960 2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1790 -0.2460 4.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -3.4050 2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -3.0070 3.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 -4.0190 5.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -4.6180 3.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 -1.5360 8.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 0.1780 8.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 -0.2620 8.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 -3.9860 -1.8640 O 0 5 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 M CHG 1 37 -1 M END