MDPI-ZINC04235421 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 63 0 0 1 0 0 0 0 0999 V2000 -0.0840 1.4020 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -0.1040 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.8270 1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -2.2090 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -2.8730 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -2.1460 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -0.7590 -1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.8110 -2.4070 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -2.0440 -3.6550 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6330 -1.1510 -3.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -2.9050 -4.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 -3.2040 -4.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 -2.9030 -5.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4210 -3.1950 -5.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7120 -3.7940 -4.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4760 -2.7630 -5.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8240 -2.9100 -5.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8370 -2.4620 -6.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2000 -2.5860 -6.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1320 -2.1630 -7.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7370 -1.6110 -8.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4010 -1.4800 -8.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4330 -1.9040 -7.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0930 -1.7750 -8.1090 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1330 -2.1680 -7.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9630 -2.0300 -7.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7070 -1.1890 -9.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1820 -3.4500 -4.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 -1.6430 -4.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 -0.3850 -4.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9150 -0.0170 -4.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 -0.9070 -4.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 -2.1650 -4.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 -2.5320 -3.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -4.2330 -0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 1.7890 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 1.7780 -0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 1.7280 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -0.3110 2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.7710 2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -0.1920 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -3.7810 -2.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -2.3670 -5.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -3.8390 -4.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 -3.6620 -3.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 -2.4450 -6.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5150 -3.0140 -5.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1830 -2.2590 -6.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4850 -1.2820 -9.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1050 -1.0500 -9.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6040 -0.1090 -9.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 -1.6140 -9.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4730 -1.4080 -10.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4380 -3.6320 -3.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 0.3110 -4.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1070 0.9660 -5.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9640 -0.6200 -4.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5260 -2.8610 -4.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 -3.5130 -3.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -4.6460 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 2 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 28 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 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 2 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 31 56 1 0 0 0 0 32 33 2 0 0 0 0 32 57 1 0 0 0 0 33 34 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 35 60 1 0 0 0 0 M END