MDPI-ZINC03849031 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 -1.6800 0.6180 -4.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 -0.0590 -3.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 -0.8800 -2.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 -1.5460 -1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 -1.4470 -0.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 -2.4190 -0.8230 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2280 -2.0730 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0360 -3.8680 -1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1150 -4.7560 -0.6380 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0950 -4.4480 -1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0650 -4.6150 0.8850 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2870 -3.2110 1.2550 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 -2.3440 0.7060 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4820 -0.9010 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7380 -0.4810 0.6990 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4400 -0.8290 2.5460 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -0.0730 0.6100 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -2.7800 1.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1550 -5.4860 1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0160 -6.8030 1.0640 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.0330 -5.4530 2.9070 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.4130 -4.9970 1.1440 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 -5.0370 1.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8660 -6.1930 -1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7360 -6.5930 -1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 -7.0280 -1.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5880 -8.3980 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8860 -9.1930 -1.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -4.3280 -0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -4.3350 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 -4.7570 0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 -5.1740 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -5.1700 -1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -4.7510 -1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -4.7510 -3.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 1.2340 -4.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 -0.1430 -5.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 1.2440 -4.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -0.6850 -3.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 0.7020 -2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 -3.9320 -2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2010 -2.9000 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -2.6320 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 -5.1230 2.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0400 -8.4060 -2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9770 -8.8520 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6500 -10.2210 -1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4340 -9.1860 -0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4970 -8.7390 -2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -4.0090 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -4.7600 2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 -5.5040 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -5.4950 -2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -3.9240 -3.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 33 2 0 0 0 0 32 52 1 0 0 0 0 33 34 1 0 0 0 0 33 53 1 0 0 0 0 34 35 1 0 0 0 0 35 54 1 0 0 0 0 M END