MDPI-ZINC04701320 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 0.0150 1.3570 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 1.7960 -1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 1.1390 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 0.0270 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -0.4100 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 0.2580 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6870 -0.6800 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8420 0.0070 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 1.4780 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 2.1650 0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8840 3.5440 0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 4.2580 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7080 3.5990 -0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7440 2.2040 -0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7040 1.5150 -1.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4650 0.9690 -2.3720 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7560 5.7370 -0.1070 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9420 6.3240 0.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5460 6.3690 -0.7860 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9180 1.8780 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 2.6550 -2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 1.4820 -1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -1.2680 0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 -0.0790 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 -1.7510 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 -0.5210 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 1.6170 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1650 4.0720 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4070 4.1630 -1.5080 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 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 22 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 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 15 16 3 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END