MDPI-ZINC04262790 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 0.4440 0.7350 1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0050 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 0.0210 -0.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -0.7530 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 -2.1270 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -2.9480 -0.0880 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7040 -2.1040 -0.4960 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5980 -1.7950 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9730 -2.9360 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8710 -4.2220 -1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0200 -4.8480 -1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9780 -6.0560 -2.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1610 -6.7010 -2.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1010 -7.8740 -3.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8800 -8.4520 -3.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6950 -7.8480 -3.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7290 -6.6320 -2.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5430 -5.9770 -2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 -4.7750 -1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 -4.0840 -1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -4.4120 -1.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -6.5060 -2.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 -8.4190 -3.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7770 -0.8630 0.4010 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8100 -1.1640 1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 -0.0400 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 1.1680 0.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9410 -0.0990 0.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4830 0.6280 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -3.4780 1.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -2.7510 -0.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 1.2290 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 1.4800 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 0.0290 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1230 -3.1670 0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8250 -2.3620 -0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9740 -4.4150 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1200 -6.2680 -2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0170 -8.3620 -3.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8590 -9.3830 -4.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -6.2110 -3.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1560 -8.1390 -4.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7640 -0.0680 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7350 1.3250 1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3640 1.1810 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 -4.0480 1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -2.2040 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 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 31 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 19 2 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 28 1 0 0 0 0 26 27 2 0 0 0 0 28 29 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 31 47 1 0 0 0 0 M END