MDPI-ZINC03846047 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4910 -0.6400 -1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 -0.2190 -2.5700 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0800 0.8620 -2.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4610 -0.9110 -3.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6120 -0.6170 -2.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5950 0.3480 -2.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9280 -0.0170 -2.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2780 -1.3460 -2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2950 -2.3120 -2.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9620 -1.9470 -2.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 -1.2820 1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 -1.7400 2.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -1.4190 3.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 -0.6390 3.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 -0.1780 2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -1.6200 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -0.1110 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0420 -0.2180 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4910 -1.7270 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -1.9920 -3.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9370 -0.6110 -4.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 -0.6230 -3.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3210 1.3870 -2.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6960 0.7370 -2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3200 -1.6320 -2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5690 -3.3500 -2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1940 -2.7010 -2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 -1.5330 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 -2.3490 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -1.7770 4.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -0.3890 4.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 0.4340 2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -0.1470 -1.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 0.8520 -1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 15 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 41 42 1 0 0 0 0 M END