MDPI-ZINC03845873 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 -0.4710 1.2610 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.1860 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 -0.5750 -1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -0.4440 1.1110 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7370 0.1360 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -0.0740 2.4700 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9970 -0.5530 3.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 0.0840 4.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 1.6050 4.8310 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6650 1.8810 4.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 2.0750 3.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 1.3560 2.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 2.0080 4.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 3.5390 3.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 2.2900 6.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7130 6.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 -0.7590 2.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -1.8330 1.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 -1.9440 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 1.9650 -0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 1.4180 -1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 1.5170 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -0.8390 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.0110 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 -1.6420 -1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -0.3720 -2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -1.6450 3.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0410 -0.2840 3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 -0.2900 5.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 -0.2250 5.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 2.8030 4.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 2.1080 3.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 1.0640 4.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 3.6540 3.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 3.8450 2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 4.2370 4.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -1.8100 2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 -0.7610 3.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0040 -0.2520 1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 3.3650 6.3760 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 M CHG 1 40 -1 M END