MDPI-ZINC04293612 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 56 0 0 1 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 3 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 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -1.2330 0.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -0.2060 -0.9880 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -0.7130 -0.9780 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6440 -1.7150 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 -0.7640 -2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3630 -1.7860 -3.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8910 -1.8360 -4.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8140 -1.1270 -4.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4960 0.2010 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0150 1.1750 0.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -0.6000 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 -0.2970 0.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -1.0990 2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1870 -1.1270 2.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9740 -1.5880 3.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4540 -1.5750 2.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8860 -0.1950 2.6070 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3920 0.6150 3.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5600 0.3230 4.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7090 1.9200 2.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2390 3.1100 3.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4130 4.1770 2.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0620 4.0610 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5310 2.8760 0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3510 1.8020 1.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8330 0.4270 1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4270 -0.0590 0.3800 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 -1.9530 0.3600 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2160 -1.0560 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0690 0.2200 -2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 -1.4930 -3.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -2.7690 -2.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -0.7310 1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -0.4340 3.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 -2.1040 2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8200 -0.9320 4.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6760 -2.6030 3.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0460 -2.0100 3.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5940 -2.1590 1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5140 3.2070 4.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8260 5.1050 2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2030 4.8990 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2590 2.7910 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 -2.6680 -5.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8020 -0.0680 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3180 0.5460 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 -2.6640 -6.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 15 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 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 11 52 1 0 0 0 0 13 14 2 0 0 0 0 13 53 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 31 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 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 52 55 1 0 0 0 0 53 54 1 0 0 0 0 M END