MDPI-ZINC03847688 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 1 0 0 0 0 0999 V2000 -1.2500 -0.0770 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -1.4020 0.2750 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0810 -1.8040 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 -2.3600 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -3.1000 1.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -1.1720 1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -0.7680 2.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -0.5570 3.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 -0.7500 3.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7410 -1.1550 2.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 -1.3700 1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 -1.8080 -0.2640 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1060 -2.6420 -0.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 -1.3350 -1.2540 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5020 0.6320 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -0.2430 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 0.3250 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 -0.6180 2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.2410 4.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0780 -0.5850 4.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 -1.3050 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 3 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END