MDPI-ZINC03852537 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 0 0 0 0 0999 V2000 -2.5270 -0.7480 0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.9700 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -1.4290 1.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -1.7650 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -1.6560 -0.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 -2.2930 1.9840 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5730 -1.6550 2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 -2.0850 1.7170 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8660 -2.3630 2.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6010 -4.4700 1.0350 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1210 -4.5750 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 -4.7790 1.2510 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0830 -5.8010 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -3.7970 2.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -4.1160 2.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -5.3900 2.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 -5.6830 3.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 -4.7140 4.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 -3.4630 4.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 -3.1740 3.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -4.9940 4.5780 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -4.8580 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -5.4560 -0.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 -4.1760 -1.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 -4.1980 -2.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 -3.4420 -3.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 -5.3630 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7260 -0.6640 1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 -0.0150 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2340 -0.3910 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 -1.6770 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -1.7240 -0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -0.0310 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 -3.9860 3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -6.1970 2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 -6.6670 3.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 -2.7180 4.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 -2.1880 3.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -5.2340 -2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -3.7150 -2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 -2.4090 -3.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9690 -3.9010 -3.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 -3.4320 -4.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 -5.1970 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4190 -5.1780 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1740 -6.4190 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 0.0500 2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8190 -0.5840 1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 -0.3520 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 -3.0300 0.6440 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2240 -2.8440 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7480 -2.8390 0.4050 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 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 50 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 50 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 M CHG 1 50 1 M END