MDPI-ZINC04280971 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0240 -0.8400 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.1550 0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.1050 -0.6640 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.7630 -1.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -3.2110 -1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -3.1650 -2.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -4.2560 -3.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -5.3940 -3.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -5.4440 -2.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -4.3530 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -6.7860 -4.3060 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 -7.9190 -3.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -6.6810 -5.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -3.2730 1.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.4370 2.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -1.3120 3.3890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -0.9060 4.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 0.4540 5.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 0.8580 6.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -0.0780 7.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -1.4270 7.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -1.8580 5.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -3.2990 5.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -3.6700 4.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -2.2760 -2.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -4.2210 -4.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -6.3340 -1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -4.3900 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -3.6100 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 1.1900 4.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 1.9120 6.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 0.2520 8.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -2.1500 7.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -6.6140 -5.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -4.2050 6.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -5.1380 6.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -7.3300 -5.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 17 1 0 0 0 0 4 5 1 0 0 0 0 4 16 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 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 39 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 39 42 1 0 0 0 0 40 41 1 0 0 0 0 M END