MDPI-ZINC03844451 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3760 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 1.2210 -0.6850 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 0.0360 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 1.4200 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0880 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 2.1250 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 3.5500 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8420 4.1660 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4960 3.8430 -1.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8180 4.3730 -1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4180 3.9670 -2.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6740 4.5790 -3.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1550 4.2630 -5.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2890 4.9680 -6.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4450 6.3830 -5.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7380 7.1620 -6.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9120 6.5750 -7.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1910 7.3620 -8.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 8.7370 -8.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1160 9.3370 -7.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8390 8.5410 -6.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2230 10.8090 -7.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9440 11.3280 -6.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 -2.1620 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 -2.7520 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9010 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 -0.4850 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1670 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 3.8790 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 3.8690 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7640 5.2480 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4200 3.7680 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7800 5.4600 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4370 3.9790 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4560 4.2950 -2.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3740 2.8830 -2.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1880 4.5970 -5.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1050 3.1850 -5.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5990 4.6580 -7.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2430 4.7020 -5.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 5.4990 -7.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 6.9000 -9.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7240 9.3500 -9.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4780 8.9990 -6.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 11.5750 -8.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -2.8550 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -3.8190 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6230 12.5330 -8.3760 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 47 50 1 0 0 0 0 48 49 1 0 0 0 0 M END