MDPI-ZINC04267289 MOE2007 3D CORINA 3.40 0006 02.08.2006 73 78 0 0 1 0 0 0 0 0999 V2000 -0.0980 1.3240 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -0.1600 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -0.9000 0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -2.2450 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -3.1890 1.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -2.2910 -0.8830 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -0.9920 -1.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 -0.5910 -2.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -3.4310 -1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 -4.5940 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -5.7180 -1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -5.6870 -3.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -4.5310 -3.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -3.4010 -3.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 -0.4190 2.0680 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -1.3420 3.0480 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2840 -2.1090 2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -0.5700 4.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7980 -0.0220 3.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8930 -0.2280 2.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 0.7350 3.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8210 1.3530 3.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8210 2.1240 3.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8710 2.7620 3.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7950 3.4780 3.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7020 3.5770 5.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6780 2.9570 6.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7230 2.2220 5.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6950 1.6000 5.9990 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7530 0.8880 5.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 0.3590 5.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6240 1.7240 7.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8900 1.2410 1.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -1.9940 3.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -3.3770 4.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 -4.1820 3.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 -5.5190 3.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -6.1040 4.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -5.3560 5.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -3.9720 4.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -3.1680 5.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -1.8310 5.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -1.2410 4.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 0.0980 4.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 1.8570 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.5630 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 1.6250 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 0.4700 -2.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -0.7760 -3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 -1.1700 -2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -4.6190 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 -6.6230 -1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 -6.5680 -3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -4.5100 -4.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -2.4970 -3.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 0.5230 2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 0.2520 4.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9810 -1.2390 4.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 2.6890 2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6040 3.9690 3.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4400 4.1460 5.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6150 3.0400 7.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0290 2.5990 7.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1590 0.8310 7.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6300 1.8340 7.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2310 0.6760 1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 -3.7430 3.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 -6.1360 3.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 -7.1670 4.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -5.8230 5.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 -3.6090 5.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -1.2170 5.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 0.3490 3.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 2 3 2 0 0 0 0 2 7 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 6 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 48 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 51 1 0 0 0 0 11 12 1 0 0 0 0 11 52 1 0 0 0 0 12 13 2 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 54 1 0 0 0 0 14 55 1 0 0 0 0 15 16 1 0 0 0 0 15 56 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 18 19 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 22 33 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 59 1 0 0 0 0 25 26 1 0 0 0 0 25 60 1 0 0 0 0 26 27 2 0 0 0 0 26 61 1 0 0 0 0 27 28 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 30 31 2 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 33 66 1 0 0 0 0 34 35 1 0 0 0 0 34 43 2 0 0 0 0 35 36 1 0 0 0 0 35 40 2 0 0 0 0 36 37 2 0 0 0 0 36 67 1 0 0 0 0 37 38 1 0 0 0 0 37 68 1 0 0 0 0 38 39 2 0 0 0 0 38 69 1 0 0 0 0 39 40 1 0 0 0 0 39 70 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 71 1 0 0 0 0 42 43 1 0 0 0 0 42 72 1 0 0 0 0 43 44 1 0 0 0 0 44 73 1 0 0 0 0 M END