MDPI-ZINC04204368 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 48 0 0 1 0 0 0 0 0999 V2000 0.3440 1.7520 -0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 0.2810 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -0.2120 1.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -0.4120 -1.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -1.8410 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -2.4980 -2.4840 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8940 -2.0800 -2.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -4.0300 -2.3380 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7500 -4.4130 -1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -4.7470 -3.7120 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7090 -4.5230 -4.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 -6.2770 -3.5760 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3780 -6.6590 -2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -6.8230 -4.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -7.0330 -5.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6880 -6.6520 -3.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 -7.9780 -2.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -8.8470 -2.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 -8.2260 -2.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 -4.2300 -4.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -3.6310 -5.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 -3.3550 -6.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -3.3060 -6.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 -4.2790 -1.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 -5.0690 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -5.5540 -0.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 -5.2270 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -2.2270 -3.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 -1.1910 -4.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -0.4380 -4.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -1.0930 -4.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 1.9890 -0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 2.0580 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 2.2990 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 -2.1620 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 -2.1040 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9470 -7.7760 -3.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 -9.3040 -2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 -7.8160 -1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9940 -2.5550 -5.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 -2.9050 -7.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0700 -4.2140 -6.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3310 -5.4750 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 -6.0500 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 -4.3050 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -2.0420 -5.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 -0.3150 -5.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1930 -0.8260 -4.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -6.9710 -5.2230 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 14 15 2 0 0 0 0 14 49 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 46 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 M CHG 1 49 -1 M END