MDPI-ZINC04292897 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.0560 -0.5940 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -0.6910 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -2.1400 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1390 -2.4480 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 -2.7370 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -4.2540 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 -4.8560 -0.5940 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8960 -6.3580 -0.4990 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1210 -6.5670 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1970 -7.0380 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 -8.5200 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 -9.1980 -1.1190 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2550 -8.4480 -1.7330 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0530 -8.8450 -2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -6.9600 -1.8390 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2570 -6.7570 -2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -6.2720 -2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -6.9000 -2.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -4.8060 -2.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -4.1600 -1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 -2.6430 -1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -8.8180 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -10.3050 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -10.5420 -0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 -11.5920 -0.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5990 -9.3460 -2.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4630 -4.5970 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 -2.3190 1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 -2.4980 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -4.4920 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 -4.6740 1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -6.5840 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 -6.9270 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 -8.6210 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8200 -9.0070 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -4.2470 -2.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9150 -2.2650 -1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -2.2960 -1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -8.7050 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -8.2140 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -10.9450 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -10.5100 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9840 -8.3600 -2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 -9.8430 -3.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3960 -9.9410 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 -3.5230 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4830 -5.0160 -2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2390 -5.0660 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 23 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 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 17 18 1 0 0 0 0 17 19 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 41 1 0 0 0 0 22 23 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M END