MDPI-ZINC03846441 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 -0.1130 1.5150 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -0.0040 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -0.6980 1.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3580 -0.6170 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -0.0530 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 0.1290 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -0.4320 -1.3070 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9670 -1.9500 -1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 -2.8100 -1.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -2.1400 0.4220 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7870 -2.6250 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 -2.9640 0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 -4.4150 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -5.2260 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 -4.6980 1.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 0.0350 -2.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -0.6100 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 1.9170 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 1.9530 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 1.7570 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 0.9120 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9550 -0.7190 1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.1840 -1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 -0.4510 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 -2.9310 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 -2.5510 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -4.4480 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -4.8280 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 1.1240 -2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -0.3200 -3.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -0.3660 -2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 0.0840 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -1.5490 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 -0.7960 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -6.5350 0.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2120 -7.0140 0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 35 36 1 0 0 0 0 M END