MDPI-ZINC02022613 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -0.3310 0.0840 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -0.4670 1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 -0.4200 0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 0.1860 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 0.7320 -1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 0.6830 -0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 0.2070 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1940 -0.8290 -1.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5130 -1.0070 -1.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4170 -0.3380 -1.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6470 -2.0580 -2.6000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9040 -2.6070 -3.1240 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7090 -2.4080 -2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2490 -2.0900 -4.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7550 -0.3350 -4.5320 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2020 -0.1580 -6.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8930 -1.0070 -7.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 0.9700 -6.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2600 1.0720 -7.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0650 2.3310 -8.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4420 2.3360 -7.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1890 3.5050 -8.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5660 4.6800 -8.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1960 4.6890 -8.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4470 3.5210 -8.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7770 -4.1360 -3.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5860 -4.5410 -3.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 0.0400 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -0.9390 2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -0.8670 1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 1.1860 -2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 1.1060 -1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1980 1.1810 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 0.0420 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8080 -2.5560 -2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0770 -2.6660 -4.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3850 -2.1970 -5.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8570 0.2030 -8.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3550 1.1070 -8.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9390 1.4280 -7.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2560 3.4990 -7.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1470 5.5900 -8.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7100 5.6080 -9.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 3.5490 -8.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8620 -4.7820 -3.3590 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 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 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 M CHG 1 45 -1 M END