MDPI-ZINC03847363 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 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 1.0600 -0.5960 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6940 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 -0.0050 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1800 -0.3360 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1290 -1.8160 -1.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0700 -2.3350 -2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 -3.6810 -2.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1290 -4.5250 -2.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 -4.0060 -1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 -2.6530 -0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -2.1600 -0.0050 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1870 -2.5300 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 -2.6790 1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -2.3000 2.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -1.0990 3.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -0.7490 3.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 -1.6040 4.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -2.8090 3.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -3.1560 2.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 -1.2620 4.9890 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 -5.8510 -2.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -6.6540 -1.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 -4.1790 -3.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9390 -3.2530 -4.1670 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 -3.0480 -0.3530 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 1.0710 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 -0.0220 -1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 0.2010 -2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8030 -1.6800 -2.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4610 -4.6580 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 -2.2380 1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -3.7640 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 -0.4340 2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 0.1890 4.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 -3.4760 3.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -4.0960 2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -1.5590 5.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -6.2850 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 -6.6000 -0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -7.6890 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5100 -2.7920 -3.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4060 -2.4820 -4.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6190 -3.7800 -4.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 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 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 43 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 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M END