MDPI-ZINC04701079 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 0 0 0 0 0 0999 V2000 -1.0620 -2.2120 1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -1.1010 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 0.1440 0.6820 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 0.5440 1.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 0.6800 2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6430 1.1010 3.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 1.4090 4.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 1.2970 4.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 0.8730 3.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 0.7720 3.0080 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -0.1950 4.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 0.3050 1.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 -1.4910 -0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 -0.9820 -1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -1.3630 -2.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 -0.8760 -3.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1240 -1.2760 -4.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 -2.1860 -5.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -2.6750 -4.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -2.2440 -3.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -2.7180 -2.9860 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -2.4210 -1.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2300 -2.8440 -1.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 -3.5000 -3.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 -3.0390 -5.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6390 -3.7920 -5.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 -5.0080 -5.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 -5.4670 -4.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 -4.7130 -3.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 -0.1210 -0.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -1.9900 2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -2.3230 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -3.1660 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7240 0.4510 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7220 1.1930 3.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2570 1.7390 5.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 1.5410 5.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1320 -0.1830 -2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 -0.8920 -4.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 -2.5290 -5.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -3.4190 -5.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 -2.0750 -5.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8820 -3.4240 -6.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 -5.5930 -6.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2810 -6.4100 -3.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 -5.0900 -2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 0.0280 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 2.1490 3.3020 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 13 1 0 0 0 0 3 4 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 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 48 1 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 30 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 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 M CHG 1 48 -1 M END