MDPI-ZINC03067619 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 1.1780 0.5580 -2.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -0.3340 -1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 -0.6300 -0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 -0.0310 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3610 0.8640 -1.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 1.1550 -2.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2390 -0.4060 0.5560 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6450 0.5300 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7480 -0.0950 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 -1.8560 -0.4300 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9910 -2.2610 0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3950 -3.5810 0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3320 -3.8940 1.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8680 -2.8980 2.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4690 -1.5840 2.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5380 -1.2620 1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1540 0.8410 -0.8740 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2610 0.5010 -2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3470 0.9620 -3.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4280 0.6940 -4.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4290 -0.0320 -5.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3460 -0.4920 -4.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2620 -0.2340 -3.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5970 2.2910 0.1120 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4880 2.6270 1.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2900 3.9300 2.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2050 4.1890 3.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3180 3.1560 4.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5150 1.8590 4.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5940 1.5910 2.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 0.7840 -3.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -0.7980 -1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5470 -1.3250 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 1.3310 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 1.8500 -3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9760 -4.3590 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6460 -4.9190 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6010 -3.1460 3.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8900 -0.8090 3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2300 -0.2350 1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1270 1.5300 -2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2710 1.0520 -5.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4940 -0.2400 -6.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5680 -1.0580 -5.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4190 -0.5980 -2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 4.7370 1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0510 5.2010 3.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2510 3.3620 5.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6030 1.0550 4.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7430 0.5770 2.4170 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 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 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 M END