MDPI-ZINC02164810 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 0.0040 1.5980 1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 0.2140 1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 -0.5100 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 0.1460 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3550 1.5470 0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 2.2680 1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 2.2550 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6420 3.5980 0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9040 4.3060 0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1230 3.6290 0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3000 4.2980 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2760 5.6380 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 6.3150 -0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8870 5.6570 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 6.3810 -0.2250 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6180 5.8180 -0.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5240 7.5410 0.1380 O 0 5 0 0 0 0 0 0 0 0 0 0 8.5440 6.3500 -0.5620 N 0 3 0 0 0 0 0 0 0 0 0 0 9.6050 5.7570 -0.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5270 7.5280 -0.8680 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4590 -0.5660 0.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 2.1560 1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 -0.3020 1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 -1.5900 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 3.3470 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5220 1.6950 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 4.1580 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1440 2.5840 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2430 3.7770 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 7.3600 -0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 -0.7850 -0.3170 H 0 0 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 31 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M CHG 1 18 1 M CHG 1 20 -1 M END