MDPI-ZINC04292949 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 64 0 0 1 0 0 0 0 0999 V2000 -0.4290 2.6560 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 1.1760 0.2050 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0080 0.8060 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.0310 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 2.2340 -0.3640 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3920 2.4910 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 1.8870 -1.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 0.9820 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 0.0830 -2.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -0.8940 -1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -1.0320 -0.1300 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3080 -1.5110 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 0.3560 0.4620 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2140 0.8560 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 0.2180 1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 -0.5620 2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 -1.9420 1.6530 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4270 -1.9060 0.1770 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2890 -1.6470 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 -3.3840 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -3.6720 1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -4.6150 1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -5.5750 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -6.2550 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 -7.1540 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -7.3840 -1.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -6.7150 -1.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -5.8170 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 -2.8120 2.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -2.7710 3.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 -2.6330 1.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 3.3460 0.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 3.2490 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 2.8010 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 2.9720 1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 1.4250 2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 -0.2430 1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 1.2050 1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 0.1420 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 2.7960 -2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 1.3650 -2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 0.0360 -3.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 -0.5420 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.8660 -2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -0.3170 2.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 1.2080 2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9390 -0.6520 3.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -0.0230 1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 -4.0490 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 -3.4760 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -4.6630 2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 -6.0760 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 -7.6800 -0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -8.0890 -2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -6.9000 -2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 -5.3000 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8670 -2.0560 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 -3.6350 1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3140 -2.6980 2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 4.1490 -0.2440 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 8 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 32 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 2 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 M END