MDPI-ZINC03847572 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 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 -4.9780 -1.7660 2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 -2.6030 3.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9420 -0.2300 4.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8450 1.0400 5.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5220 2.1810 4.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4030 3.3260 5.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6200 3.2920 6.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9910 2.1880 7.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0850 1.0790 6.3720 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 -2.1500 -2.3160 3.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6550 -2.7830 4.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 -3.5130 2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8370 -1.0900 5.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9110 -0.2710 3.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1260 2.1780 3.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9160 4.2330 5.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5220 4.1790 7.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 0.1930 6.6950 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 -3.8730 -0.2530 3.4040 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 -0.1510 3.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 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 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 24 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 44 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 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 17 38 1 0 0 0 0 17 44 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 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 44 45 1 0 0 0 0 M END