MDPI-ZINC03846009 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 2.4240 1.7330 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 0.2210 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 -0.3780 1.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 -1.7120 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7310 -2.3580 0.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -2.3320 2.3930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 -3.7840 2.5500 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5830 -4.2710 1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8560 -4.1410 3.3540 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7860 -4.1530 2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8240 -3.1860 4.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -3.7120 5.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -4.9350 4.6700 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4050 -4.3280 3.4080 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2550 -3.5160 3.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 -5.3200 2.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 -5.5020 4.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 -5.9800 5.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 -6.5790 2.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -5.9220 5.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 2.1600 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 2.1830 -0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 1.9330 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 -0.2050 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7290 0.0210 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 -1.8160 3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 -3.2420 5.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 -2.1620 4.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 -4.0260 6.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -2.9460 5.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 -4.9920 1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -5.2240 5.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 -6.9120 5.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3960 -6.1460 4.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0580 -6.7720 2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8270 -7.4960 3.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -6.2350 2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 -5.4100 5.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -6.7400 4.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -6.3210 6.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 M END