MDPI-ZINC03136351 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 1 0 0 0 0 0999 V2000 0.2880 1.3580 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -0.0580 0.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -0.5730 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 0.1460 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5330 -0.5210 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5880 -1.9320 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 -2.6440 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 -1.9650 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -2.6990 0.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9180 -2.6730 0.0740 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0880 -3.0510 1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9610 -3.8350 -0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3230 -4.4760 -1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4280 -5.7260 -1.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6760 -6.3170 -1.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8440 -5.6940 -1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7460 -4.4430 -0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4910 -3.8210 -0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4110 -2.4800 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0130 -0.4520 0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 0.3040 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9930 -6.4070 -1.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2110 -5.8140 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7460 -7.5420 -2.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 1.6050 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 1.7350 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 1.8430 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 1.2320 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 -3.7280 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -2.0370 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6530 -3.4740 -1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2470 -4.6110 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5450 -6.2450 -2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6340 -3.9310 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2020 -1.8200 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5080 -2.6010 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9500 -0.6670 1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9290 0.1120 0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6780 1.2180 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 0.6030 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2150 -5.6720 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4000 -4.8710 -1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0250 -6.5020 -1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6970 -7.7700 -2.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1080 -1.7660 -0.2340 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.0820 -1.5670 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 45 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 45 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END