MDPI-ZINC03844659 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 1 0 0 0 0 0999 V2000 -0.0930 1.5360 -1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 0.1820 -1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -0.4680 -0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 0.2350 -0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 1.5880 -1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 2.2390 -1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6040 -0.4740 -0.6220 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4130 -1.4030 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 -0.7870 -1.9540 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6810 -1.4970 -2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6470 -1.3840 -1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7720 -0.5830 -1.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0180 -1.1300 -1.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1390 -2.4800 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0140 -3.2820 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7670 -2.7330 -1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5610 -3.5900 -1.3740 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6750 -4.7960 -1.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 -3.0900 -1.4690 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4340 0.4170 -2.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 0.3640 0.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 2.0430 -1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -0.3670 -1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -1.5250 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 2.1380 -1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 3.2960 -1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6780 0.4720 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8980 -0.5040 -1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1130 -2.9090 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1080 -4.3360 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9640 1.0960 -2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6670 1.2100 -0.2530 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 7 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END