MDPI-ZINC03847535 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 3.0240 -3.0600 1.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8790 -2.1690 1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 -2.9430 0.5930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 -2.7080 -0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 -1.2220 -0.7150 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9670 -0.5650 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 -1.0990 0.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8720 -0.9220 -1.7950 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7560 -1.5370 -1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 -1.2310 -3.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -2.2600 -3.8470 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 -2.4100 -5.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -3.4330 -6.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 -3.3960 -7.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -2.3540 -7.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -1.3420 -6.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 -1.3630 -5.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 -0.2570 -3.9490 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2450 0.4980 -1.7340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 0.8290 -2.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4490 2.3190 -2.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4330 2.8870 -2.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 4.2540 -2.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8530 5.0540 -2.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8690 4.4860 -3.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 3.1180 -3.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7460 0.8520 -0.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 -1.5900 2.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 -3.4850 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7230 -2.4650 2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6220 -3.8640 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2370 -3.3500 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -2.8480 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 -4.2510 -5.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -4.1860 -7.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.3380 -8.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -0.5320 -6.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1710 0.3260 -2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8580 0.4980 -3.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0440 2.2630 -1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 4.6980 -1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0100 6.1220 -2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 5.1100 -4.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9040 2.6740 -4.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 1.7790 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 -0.9880 3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -0.9660 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -2.4040 3.2100 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 7 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M END