MDPI-ZINC03845206 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 0.5200 1.4410 2.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 0.0590 2.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 -0.6280 2.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 0.0760 1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 1.4720 1.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 2.1450 2.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 -0.6500 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0230 0.0300 0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2190 -0.6960 0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2560 -2.0880 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3930 -2.7670 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4900 -2.0510 -0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4520 -0.6740 -0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3240 0.0130 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2900 1.4020 -0.2000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7010 -2.7780 -0.9790 N 0 3 0 0 0 0 0 0 0 0 0 0 10.8080 -2.3190 -0.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5850 -3.8330 -1.5780 O 0 5 0 0 0 0 0 0 0 0 0 0 7.4400 -4.2380 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3060 -4.9400 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3530 -6.4120 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1760 -7.1460 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2270 -8.5230 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4400 -9.1780 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6090 -8.4590 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5730 -7.0810 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 1.9730 2.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -0.4840 3.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.7070 2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5780 2.0230 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 3.2240 2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 -1.7290 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9950 1.1090 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4090 -2.6380 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3020 -0.1270 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5030 1.8820 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0530 1.8910 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3850 -4.7530 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3610 -4.4260 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 -6.6350 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3180 -9.0910 0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4730 -10.2570 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5520 -8.9770 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4860 -6.5210 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 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 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END