MDPI-ZINC03932057 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 0 0 0 0 0 0999 V2000 0.5950 1.5140 -2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 0.0070 -2.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -0.5970 -2.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -0.6700 -1.2130 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -2.0650 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -2.8020 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -4.1770 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -4.8320 -1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -4.0880 -2.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 -2.7130 -2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 -4.9080 -4.1110 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -5.0250 -4.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -6.0240 -3.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 -6.3020 -1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -7.0160 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 -8.4860 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -9.1410 -1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -10.5160 -1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -11.2530 -0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -10.6050 0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -9.2300 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -8.4110 2.3990 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -8.4250 2.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -7.2160 2.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -12.6480 -0.4990 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -13.3190 -1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -12.7100 -2.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -14.8260 -1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 1.8610 -2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 1.8830 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 1.8870 -2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -0.1890 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -2.2950 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -4.7480 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -2.1370 -3.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 -6.8070 -2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 -6.5110 0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -8.5700 -2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 -11.0230 -2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -11.1800 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -13.1330 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -15.1920 -0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -15.1960 -2.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 -15.1800 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 -3.9690 -5.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 -9.2790 3.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -8.9180 4.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -4.3260 -6.0040 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 45 1 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 46 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 45 48 1 0 0 0 0 46 47 1 0 0 0 0 M END