MDPI-ZINC03844948 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3770 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 0.0360 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 1.4160 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 3.5940 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 4.0960 1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 5.6030 1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 6.2120 0.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 -0.6970 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5930 -1.9950 0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 -2.7400 0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -3.9530 0.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -2.0770 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9730 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 3.9740 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 3.9450 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 3.7150 1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 3.7450 1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9940 -0.9290 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4920 -0.0700 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4700 -2.6170 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -1.7620 1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 -2.5720 -0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 6.2680 2.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 7.2340 2.5840 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 16 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 27 1 0 0 0 0 28 29 1 0 0 0 0 M END