MDPI-ZINC00075182 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -0.7390 -1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -0.4960 -2.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 -0.7330 -3.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3600 -1.2130 -3.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0010 -1.4590 -2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3390 -1.2260 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9970 -1.4800 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2960 -1.2310 1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 -0.7510 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 -0.5410 2.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9370 -1.4790 2.5970 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9160 -1.9340 2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0960 -0.1500 3.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0900 -2.3790 3.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 -3.1640 4.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0180 -3.0910 4.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5750 -3.8680 5.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7780 -4.7180 6.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 -4.7950 6.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 -4.0220 5.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 -5.6310 6.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2820 -6.4020 7.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2650 -1.9480 0.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 -0.1220 -2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5660 -0.5440 -4.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8720 -1.3930 -4.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0140 -1.8320 -2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1170 0.3050 3.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 0.5200 2.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 -0.3300 4.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 -2.4300 3.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6420 -2.4270 4.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6350 -3.8100 5.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2170 -5.3240 7.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -4.0830 4.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 -7.0250 8.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 -5.7330 8.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 -7.0360 7.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6680 -2.0880 -0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 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 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 M END