MDPI-ZINC04265582 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0850 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7800 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0960 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6980 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.0140 -2.3930 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -0.6580 -3.5110 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 0.0250 -4.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 1.4250 -4.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 2.1090 -5.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 1.4100 -7.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 0.0100 -7.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -0.6730 -5.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -2.4350 -5.9070 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -2.8120 -6.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -2.8510 -4.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 2.0930 -8.2650 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 1.4490 -9.3830 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 2.1290 -10.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 1.4150 -11.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 0.0170 -11.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -0.6100 -13.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 0.1220 -14.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 1.4840 -14.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 2.1630 -13.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 3.5690 -12.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 4.2170 -11.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 3.5270 -10.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 4.2150 -9.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 3.6160 -5.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -4.5420 -0.0060 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -4.9390 -1.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -4.9310 1.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6260 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.6390 -2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 1.9640 -3.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -0.5290 -8.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -0.5620 -10.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -1.6890 -13.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -0.3980 -15.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 2.0390 -15.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 4.1390 -13.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 5.2970 -11.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 4.4310 -9.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 3.9930 -5.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 3.9730 -6.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 3.9710 -4.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -2.8970 -7.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 -5.0130 0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -5.9740 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 -3.8580 -7.2570 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 33 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 54 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 30 2 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 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 31 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 33 34 2 0 0 0 0 33 35 2 0 0 0 0 33 55 1 0 0 0 0 54 57 1 0 0 0 0 55 56 1 0 0 0 0 M END