MDPI-ZINC04268238 MOE2007 3D CORINA 3.40 0006 02.08.2006 65 68 0 0 1 0 0 0 0 0999 V2000 0.2250 1.4840 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -0.0230 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -0.6410 0.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -0.6780 -1.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -2.1290 -1.2360 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2900 -2.4560 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 -2.6240 -1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 -2.0740 -2.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 -2.3950 -3.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -2.1370 -3.6850 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0970 -1.0210 -3.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -2.6910 -2.4310 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0990 -2.2040 -2.3670 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9820 -1.1000 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 -2.7060 -1.2160 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5620 -1.8510 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9110 -3.8300 -1.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6680 -3.5180 -2.8610 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4780 -4.2210 -3.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -3.5100 -3.9890 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1110 -3.4390 -4.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 -2.1850 -3.6670 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0900 -1.7170 -4.8700 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8590 -0.6560 -4.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -2.5140 -4.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 -1.9220 -6.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0660 -1.2460 -3.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0860 -0.0600 -3.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1410 -2.0730 -2.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3200 -1.6370 -2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 -4.6690 -3.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 -3.1250 -0.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7170 -2.9930 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8330 -2.5410 1.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 -3.4080 2.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 -4.2140 -2.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 -3.8160 -4.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0470 -1.4360 -4.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 1.8510 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 1.8580 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 1.8330 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -2.2470 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -3.7060 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -0.9890 -2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2700 -2.5060 -2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 -4.7680 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6310 -3.9480 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -2.2260 -5.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 -3.5750 -4.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 -1.6400 -6.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0400 -2.3370 -1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5540 -0.5830 -2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 -5.4930 -4.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -3.7890 2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 -2.5480 3.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 -4.1880 2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -4.5640 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 -4.6320 -3.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 -4.5350 -2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -4.5130 -3.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -4.0750 -5.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8560 -3.8740 -4.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1150 -1.6130 -5.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 -1.6180 -5.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 -0.4040 -4.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 31 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 35 56 1 0 0 0 0 36 57 1 0 0 0 0 36 58 1 0 0 0 0 36 59 1 0 0 0 0 37 60 1 0 0 0 0 37 61 1 0 0 0 0 37 62 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 38 65 1 0 0 0 0 M END