MDPI-ZINC03844231 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.0240 0.9390 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -0.4820 0.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -0.9920 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -2.3660 -0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 -2.8890 -2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -2.0330 -3.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -0.6500 -2.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -0.1380 -1.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 -2.5850 -4.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -3.3130 -5.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 -3.8670 -6.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5140 -3.3680 -6.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5060 -3.3130 -5.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -2.3090 -4.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -3.5200 -4.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -2.4280 -4.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 -2.6260 -4.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 -3.9090 -4.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 -4.9980 -4.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -4.8080 -4.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 -4.1000 -3.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -5.4450 -3.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 1.3920 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 1.2980 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 1.2130 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 -3.0270 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -3.9570 -2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 0.0150 -3.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 0.9290 -1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 -4.0330 -7.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 -2.3680 -7.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5930 -4.3000 -5.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4810 -2.9870 -5.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0900 -1.2950 -4.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5370 -2.4130 -3.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -1.4310 -4.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -1.7830 -3.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -5.9930 -4.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -5.6550 -5.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9880 -5.8600 -4.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5710 -6.0440 -3.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1850 -5.4560 -3.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 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 21 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 M END