MDPI-ZINC02022613 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.7070 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1210 -0.9370 -1.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2840 -1.5880 -1.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 -1.9540 -0.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7220 -1.8340 -2.8520 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9880 -2.5420 -3.0580 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6930 -2.2610 -2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5640 -2.1680 -4.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9920 -0.4090 -4.4380 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6130 -0.2570 -6.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6400 -1.2270 -6.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0570 0.9340 -6.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5550 0.9860 -7.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0050 2.3880 -8.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3120 2.7670 -7.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7250 4.0530 -8.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8320 4.9610 -8.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5260 4.5820 -9.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1140 3.2940 -8.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7460 -4.0290 -3.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6310 -4.4530 -2.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -0.1100 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 -1.6640 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1990 -1.5420 -3.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4580 -2.7600 -4.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8230 -2.3670 -5.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3960 0.3010 -7.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7610 0.6950 -8.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0100 2.0580 -7.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7460 4.3490 -8.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1550 5.9660 -9.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8280 5.2920 -9.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0940 2.9980 -8.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7690 -4.8820 -3.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5650 -5.8260 -3.1290 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 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 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 45 46 1 0 0 0 0 M END