MDPI-ZINC03845287 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 32 0 0 0 0 0 0 0 0999 V2000 0.0140 1.3710 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.0310 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -0.7770 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -0.0540 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 1.3520 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 2.0760 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 3.5850 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 4.2250 1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 -0.7380 0.0410 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5450 -0.3020 -0.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 -1.7020 0.8070 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0900 -2.2880 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -2.9250 1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 1.9050 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 -0.5330 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3700 1.8820 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 3.9080 -0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 3.9360 -0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 3.9780 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 3.9360 1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -2.5730 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 -2.6980 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 -2.5500 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -2.7750 1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 5.7060 1.2500 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5430 6.1550 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 6.0740 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 6.0360 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -4.3930 1.3500 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1610 -4.8450 2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 -4.6150 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -4.8490 0.7370 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 14 1 0 0 0 0 2 3 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 13 29 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M CHG 1 25 1 M CHG 1 29 1 M END