MDPI-ZINC03848150 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 23 0 0 1 0 0 0 0 0999 V2000 -0.0360 1.3540 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -0.0190 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 -0.6700 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 0.0030 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 1.3790 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 2.0330 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3050 3.3860 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 3.5120 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 2.2490 -0.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -2.0460 -0.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9370 -2.6450 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 -1.2950 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -2.8460 -1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -3.0990 -1.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 1.8630 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 -0.5150 -0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 4.1080 -1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 4.0450 0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -1.5230 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4890 -1.4140 -0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 -3.2480 -1.9660 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 15 1 0 0 0 0 2 3 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 M CHG 1 21 -1 M END