MDPI-ZINC03844009 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 0.0010 1.4940 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -0.0400 0.1390 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7170 -0.5080 1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -2.0370 1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 -2.5200 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 -3.2480 0.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -2.0500 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -0.5220 -1.1020 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7710 -0.0860 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -0.1000 -2.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -0.6320 -2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 -0.0810 -1.1800 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0050 1.0230 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5840 0.0850 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3120 -1.6750 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 -0.2370 1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -1.0680 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9630 -1.4380 -0.0930 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5820 -0.3450 -1.1110 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0860 0.6010 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2860 -0.8440 -2.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6360 -1.3800 -1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4670 -1.5040 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3140 -1.6270 0.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 -2.8130 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 1.8620 0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 1.8700 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 1.8390 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 -0.1220 1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -0.1190 2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 -2.3590 2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -2.4390 1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 -2.3550 -1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -2.5000 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 0.9840 -2.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -0.5150 -3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 -0.2820 -3.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -1.7170 -2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 -0.4440 2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5120 0.8260 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3990 -1.9760 1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 -0.4830 1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4660 -0.0120 -3.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7240 -1.6280 -2.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4360 -0.6770 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8580 -2.3540 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6990 -3.5440 0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 -3.1110 -1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 -2.7650 -0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 7 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 10 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 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 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 M END