MDPI-ZINC04281079 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -2.5480 2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 -4.0770 2.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -4.5770 3.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 -4.8220 4.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 -5.2790 5.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 -5.4940 5.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 -5.2440 4.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -4.7930 3.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3040 -5.9810 7.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5920 -6.1810 7.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2530 -6.6330 8.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1940 -7.6610 8.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8550 -8.1120 9.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5900 -7.5480 10.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6480 -6.5210 10.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9920 -6.0650 9.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3030 -8.0360 11.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1200 -8.9290 11.5140 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -2.4180 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -2.1700 2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -2.1960 3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -4.4550 2.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0340 -4.4290 1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -4.6550 4.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 -5.4700 6.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3600 -5.4080 4.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 -4.6030 2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 -6.1740 8.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3990 -8.0970 7.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5820 -8.9060 9.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4430 -6.0850 11.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2680 -5.2680 9.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0470 -7.4930 12.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5390 -7.8460 13.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 45 46 1 0 0 0 0 M END