MDPI-ZINC03850638 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 0 0 0 0 0 0999 V2000 -5.6240 -4.4920 2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2620 -4.4390 1.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2760 -3.6320 2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 -3.5790 1.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 -4.3420 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 -5.1540 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0010 -5.2010 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -4.2900 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 -3.5870 0.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -5.0910 -1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -4.4740 -2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -5.2280 -3.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -6.6020 -3.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -7.2140 -2.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -6.4670 -1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -7.1220 0.1710 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1140 -8.3340 0.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 -6.4480 1.1790 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6360 -7.3420 -4.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -8.7430 -4.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -4.6320 -4.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -3.2230 -4.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2630 -3.7260 1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0670 -5.4740 2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5280 -4.3130 3.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 -3.0430 3.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 -2.9480 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 -5.7470 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7730 -5.8320 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -3.4110 -2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -8.2780 -2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 -8.8960 -3.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -9.1860 -4.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 -9.2140 -5.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -2.8750 -5.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -3.0040 -4.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -2.7130 -4.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 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 30 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END