MDPI-ZINC03844216 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 50 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 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8440 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -2.5700 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 -2.4290 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0350 -3.8170 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3120 -4.3550 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3950 -3.4900 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1680 -2.1120 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9350 -1.6300 0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3190 -1.1800 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4530 -1.6150 0.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1080 0.1500 0.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2830 1.0040 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8470 2.4700 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5190 -5.8470 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2790 -6.2550 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6190 -5.4180 2.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5800 -7.5460 1.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3140 -7.8660 2.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5620 -9.3740 2.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 -6.2410 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6580 -5.3950 -1.9990 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6080 -7.5300 -1.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3650 -7.8350 -2.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6150 -9.3430 -2.7050 C 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1700 -4.4630 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4030 -3.8780 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8870 0.8060 -0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8710 0.7970 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2430 2.6680 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2600 2.6770 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7290 3.1110 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 -6.3480 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7330 -7.5560 3.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2690 -7.3400 2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1430 -9.6830 1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6080 -9.9000 2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1140 -9.6140 3.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3200 -7.3100 -2.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8020 -7.5160 -3.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6610 -9.8680 -2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1790 -9.6620 -1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1840 -9.5720 -3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 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 11 2 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 M END