MDPI-ZINC03843536 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 -0.2080 1.6020 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 0.0840 -0.9260 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8660 -0.2980 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 0.1610 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 -0.4530 -1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 -0.0500 -2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 -0.5480 -2.2440 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3870 -1.6380 -2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -0.2890 -3.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -0.8430 -2.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 -0.1680 -1.6910 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4630 0.9240 -1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -0.5090 -0.5840 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3300 -1.5960 -0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 -0.0910 0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3610 -0.6920 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9940 -1.3770 -0.0400 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9020 -0.4850 -1.2940 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4220 0.4750 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 -1.2600 -2.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9540 -1.7350 -1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5040 -1.5460 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1700 -1.5320 1.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4210 -2.7760 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 2.0000 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 1.8730 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 2.0180 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 0.1760 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -1.3820 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 1.2450 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9710 -0.1720 0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 -0.0960 -1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7240 -1.5400 -1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 1.0260 -2.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 -0.5220 -3.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 0.7760 -3.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 -0.7940 -4.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 -0.6170 -3.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 -1.9180 -2.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -0.4040 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 1.0020 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2410 -1.4120 1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0260 0.1060 1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1440 -0.5940 -3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2490 -2.1020 -2.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8380 -1.1290 -1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1690 -2.7850 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7220 -3.4220 0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7990 -3.1840 -1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 -2.7200 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 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 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 17 24 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 44 1 0 0 0 0 20 45 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 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 M END