MDPI-ZINC03848516 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -1.1740 0.8190 0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 -0.5350 0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -1.3000 1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -2.4750 0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -2.3900 -0.5260 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -1.1940 -0.7820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -3.3340 -1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -3.0070 -2.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -3.9040 -3.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -5.1350 -3.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -5.4690 -2.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -4.5750 -1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -3.5150 1.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -0.9990 2.7290 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 -0.5660 3.3130 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 -0.3830 4.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 -1.3000 5.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 -2.4330 5.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 -3.3450 6.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -3.1460 7.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 -2.0350 7.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -1.0840 7.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 0.0710 7.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 0.9760 6.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 0.7410 5.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 1.6430 4.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 0.4430 9.1120 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 0.5670 9.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -0.7240 9.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 1.4980 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 1.2470 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 0.7810 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 -2.0520 -3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 -3.6390 -4.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -5.8330 -4.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -6.4310 -2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -4.8890 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -3.3010 2.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -2.6180 4.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 -4.2060 5.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 -3.8470 8.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 -1.9200 9.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 1.8560 6.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 1.2780 3.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 1.6900 9.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 25 2 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 29 2 0 0 0 0 27 45 1 0 0 0 0 M CHG 1 45 -1 M END