MDPI-ZINC00201146 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 0.0170 1.2200 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -0.1590 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -0.8060 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -0.0650 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 1.3260 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 1.9600 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7790 -0.7510 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8310 -1.9630 0.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9160 -0.0330 0.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1600 -0.6720 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3020 0.0640 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6040 -0.6040 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8350 -1.9360 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1710 -2.1790 -0.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5780 -3.0520 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8670 -1.0090 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9260 0.0290 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3510 1.3360 0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6980 1.6060 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6280 0.5840 0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2220 -0.7160 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2280 -2.1290 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 -2.6660 1.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 1.7210 0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 -0.7310 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 -1.8830 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 1.9050 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 3.0370 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8730 0.9250 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2490 1.1420 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0710 -2.6820 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6280 2.1340 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0300 2.6200 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6810 0.8070 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9540 -1.5050 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2440 -2.8780 -0.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2900 -3.8300 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 36 37 1 0 0 0 0 M END