MDPI-ZINC03847303 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 64 0 0 1 0 0 0 0 0999 V2000 -0.9610 1.3910 0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 0.1000 0.1960 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2240 0.2680 -0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -0.4190 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -1.5280 2.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -1.9610 3.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 -1.3390 3.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 -0.2980 2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 0.1870 1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 1.3100 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 1.0890 -0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 2.1950 -1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 3.5060 -1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 3.7410 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 2.6420 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 2.8920 2.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5680 4.9760 0.7690 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 6.0990 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 2.0060 -2.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0140 0.6330 -2.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 -0.3170 -1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4630 -1.8040 -2.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0920 0.2930 2.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4320 -1.6470 4.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 -2.5640 5.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -2.2770 1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 -2.2890 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 -0.8130 -1.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 2.2190 0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 1.7170 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 1.2540 1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 -2.7960 3.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 4.3330 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 2.2530 2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 6.9820 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2460 5.9920 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 6.2650 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 2.1530 -3.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1460 2.7680 -2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3680 0.4710 -3.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8470 0.4960 -2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3210 -0.7190 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 -0.9650 -1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3480 -2.0250 -2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -1.8280 -3.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -2.5070 -2.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4920 -0.1840 3.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8450 -2.6300 5.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -2.2100 5.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -3.5630 4.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -3.3140 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 -1.8050 2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -2.7080 -0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -2.8440 0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 -1.1900 -2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 0.2250 -1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7620 -1.4330 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9810 -0.4220 -2.5920 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1670 -0.2330 -3.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 -0.8710 -0.1300 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2600 -0.5480 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 60 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 58 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 58 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 58 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 60 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 60 1 0 0 0 0 58 59 1 0 0 0 0 60 61 1 0 0 0 0 M CHG 1 58 1 M CHG 1 60 1 M END