MDPI-ZINC02173228 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 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 -1.4330 -0.5340 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0690 -0.0220 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 -2.0660 0.0850 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2150 -2.4290 0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -2.0040 -1.2650 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -0.6480 -1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3630 0.1530 -2.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 -2.9940 -2.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0950 -2.6420 -3.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -3.6220 -4.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4960 -4.9520 -3.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 -5.3060 -2.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 -4.3320 -1.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 -2.7530 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -3.1960 1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 -3.8250 1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -4.0120 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 -3.5690 -0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -2.9440 -1.0310 C 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 -3.1390 -1.6030 -3.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9540 -3.3490 -5.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8550 -5.7160 -4.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 -6.3460 -2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 -4.6090 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -3.0500 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 -4.1710 2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 -4.5030 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 -3.7150 -1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -2.6010 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 M END