MDPI-ZINC03845558 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 0 0 0 0 0 0999 V2000 -0.0220 1.5240 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.0060 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -0.4910 1.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -1.8210 1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 -2.5560 0.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 -2.3980 2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 -3.9030 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -4.6210 3.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 -6.0010 3.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 -6.6680 2.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 -5.9560 1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -4.5690 1.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 -3.8450 1.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7120 -4.3470 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 -5.4610 1.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8090 -3.5240 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 -8.1730 2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -8.6020 1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -7.7710 0.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -9.9070 0.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -10.2470 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 1.9030 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8880 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 1.8700 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -0.3850 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 -0.3520 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 -2.0470 2.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 -2.0790 3.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -4.1030 3.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -6.5600 3.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 -6.4780 1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 -2.9810 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4070 -2.5600 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6060 -3.3690 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2060 -4.0500 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4660 -8.5450 2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -8.5790 3.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -9.8500 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -9.8160 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -11.3310 -0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 M END