MDPI-ZINC04712377 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 0.6040 1.7100 2.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 1.0820 1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 0.4840 0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 0.5140 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 1.1500 2.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 1.7440 3.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8430 -0.1250 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 -0.6780 -0.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0800 -0.0940 1.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1280 -0.7920 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2700 -0.1400 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 1.3160 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 2.1820 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7730 3.4540 0.4520 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2190 4.2410 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1500 3.4660 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5760 2.1370 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9330 1.8470 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8550 2.8700 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4360 4.1840 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0960 4.4860 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 -2.2200 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8560 -2.8040 -0.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 2.1800 3.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 1.0600 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -0.0060 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 1.1760 2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 2.2360 4.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2470 0.4110 1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1200 -0.6960 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2640 1.8980 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2620 0.8250 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9090 2.6480 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1680 4.9780 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7800 5.5120 0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9040 -2.8920 0.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9020 -3.8300 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 16 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 32 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 36 37 1 0 0 0 0 M END