MDPI-ZINC03845874 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 -0.4660 1.3510 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -0.0570 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -0.3710 -1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -0.2750 1.0700 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2960 -1.2900 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -0.0950 2.4080 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9430 -0.6170 3.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -0.1400 4.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 1.3850 4.9350 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3680 1.7540 4.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 1.9050 3.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 1.3240 2.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 3.4140 3.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 1.7120 3.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 1.9130 6.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 1.2070 6.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -0.8720 2.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 0.6320 1.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 1.4330 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 2.1200 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 1.4560 -1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 1.5640 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -0.7690 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 0.3330 -1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 -1.3830 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -0.3160 -2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -1.7120 3.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -0.2570 3.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -0.6100 5.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 -0.4700 5.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 3.6200 3.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 3.7660 2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 4.0170 4.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 2.4160 4.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 1.8630 3.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 0.7120 4.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 -1.8770 1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -1.0130 3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 -0.3510 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 3.0070 6.6520 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 M CHG 1 40 -1 M END