MDPI-ZINC03845042 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 34 0 0 0 0 0 0 0 0999 V2000 -0.6570 1.3110 0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -0.1750 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -0.9770 1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -2.3550 1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -2.8900 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -4.2650 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -4.7680 -1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -6.1330 -1.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -6.6200 -3.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 -5.6720 -4.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -4.3380 -3.9050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -3.8950 -2.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -2.5350 -2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -2.0050 -1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 -0.6800 -0.9030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 -6.0240 -5.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -8.1040 -3.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -8.5790 -4.4990 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4610 -0.4540 2.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 0.7810 3.1240 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2240 1.8080 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 1.7160 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 1.5600 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -3.0180 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -4.9490 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -6.8390 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -1.8520 -3.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 -6.6040 -5.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 -5.1170 -6.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -6.5770 -5.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -8.7850 -2.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 -1.3060 3.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 15 2 0 0 0 0 3 4 2 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 14 2 0 0 0 0 6 7 2 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 2 0 0 0 0 19 20 1 0 0 0 0 19 32 2 0 0 0 0 M CHG 1 18 -1 M CHG 1 20 -1 M END