MDPI-ZINC03847573 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 -4.9160 -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 -3.8800 -3.1080 4.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -4.0220 5.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 -3.5730 6.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 -4.4490 7.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 -5.7320 6.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -6.1250 5.4370 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7590 -5.3210 4.7560 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 -4.6470 -3.6990 3.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3550 -2.3960 5.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 -2.5650 6.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 -4.1320 7.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -6.4200 7.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 -5.6800 3.8580 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 -3.0880 -2.3820 3.3860 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 -3.0210 2.7880 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