MDPI-ZINC03844542 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 60 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2050 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.0330 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4260 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0920 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 -0.6890 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9990 -0.1110 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8300 -1.1780 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0530 -2.2710 -0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 -1.9870 -0.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3360 -1.1460 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 -1.1410 1.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1740 -1.1130 1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7170 -1.1070 2.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0880 -1.0780 2.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9220 -1.0560 1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3840 -1.0620 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0080 -1.0960 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2040 -1.0390 -0.5820 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5810 -1.0470 -1.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6410 -1.0190 -2.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2320 -2.0890 -3.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1420 -1.5150 -4.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0080 -0.2170 -4.3370 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1760 0.0710 -3.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0590 -2.2420 -5.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8960 -1.5320 -6.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7470 -2.2130 -7.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7690 -3.5960 -7.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9410 -4.3040 -6.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0900 -3.6340 -5.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6750 -1.0710 4.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8890 -2.4150 4.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -1.7600 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9830 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1720 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2620 0.9360 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7140 -2.0260 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6760 -0.2460 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0670 -1.1240 3.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9930 -1.0330 1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5880 -1.1050 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9800 -1.9500 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9410 -0.1700 -1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0540 -3.1360 -3.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8790 -0.4530 -6.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3960 -1.6640 -7.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4360 -4.1240 -7.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9620 -5.3840 -6.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4470 -4.1890 -4.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6250 -0.5360 4.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9860 -0.5740 4.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2660 -2.4870 5.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 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 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 31 2 0 0 0 0 30 51 1 0 0 0 0 31 32 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 33 34 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 34 56 1 0 0 0 0 M END