MDPI-ZINC04264913 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 70 0 0 1 0 0 0 0 0999 V2000 -0.3280 1.6280 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 0.1320 0.4530 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2060 -0.3160 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -0.0660 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 0.4930 -2.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 0.2970 -3.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 -0.2350 -3.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -0.5360 1.5290 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6350 -0.1030 1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -0.4420 2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -1.8860 3.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -2.5610 2.6870 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0010 -2.0920 3.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 -2.0490 1.2630 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8320 -2.4850 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 -1.7240 -0.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2990 -3.9300 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -4.7020 1.4100 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3890 -4.7830 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -4.0370 2.7740 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1880 -4.1920 3.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -4.7480 3.5890 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8110 -4.6330 3.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -6.2400 3.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 -6.5000 3.0700 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6110 -5.8670 3.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -6.1480 1.5850 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2720 -6.3160 1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 -7.7520 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7100 -8.1370 2.7070 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4040 -7.5080 3.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 -7.9530 3.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0990 -9.5060 2.8520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -7.0580 0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -4.1960 4.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -2.5140 0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 2.0760 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 2.1050 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 1.7700 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 0.4570 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -1.1300 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -0.0310 -1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 1.5560 -1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 0.2240 3.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -0.0860 2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -1.8540 4.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -2.3680 3.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 -4.3990 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 -3.9460 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -6.5160 4.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 -6.8310 3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 -6.0870 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9510 -5.6330 1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 -8.4450 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7940 -7.8240 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 -8.1750 4.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 -8.6360 2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9920 -9.6980 2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 -6.7830 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -8.0950 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -6.9430 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -4.6030 5.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 -2.0770 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -3.6010 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -2.1960 1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 0.7140 -4.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 0.5670 -5.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 2 0 0 0 0 6 66 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 35 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 32 1 0 0 0 0 27 28 1 0 0 0 0 27 34 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 35 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 66 67 1 0 0 0 0 M END