MDPI-ZINC04235246 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3610 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 1.2240 -0.6870 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 0.0290 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 1.3940 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 2.0770 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.4420 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 4.1020 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 5.4680 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4560 6.1870 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 7.5650 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 8.2370 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 7.5330 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 6.1540 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 9.9990 0.0330 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 10.3800 0.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4450 10.4140 0.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -2.0520 -0.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -2.6820 -0.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 -4.0430 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -4.7610 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -6.1160 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -6.8320 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 -8.2370 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 -8.9120 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7870 -8.2260 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 -6.8480 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 -6.1300 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 -4.7200 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7720 -4.0310 -0.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9860 -8.9440 -0.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -6.9860 -0.0280 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -7.0440 -1.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -8.1410 0.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.8880 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 -0.4980 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 1.9460 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4010 5.6630 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 8.1220 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 8.0640 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 5.6050 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -4.2230 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -8.7810 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5640 -9.9920 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7620 -6.3240 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1240 -3.8350 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9700 -9.9140 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8330 -8.4730 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 10.4580 -1.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -6.1170 0.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 -6.5050 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 11.4180 -1.5270 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 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 50 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 29 2 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 32 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 32 33 2 0 0 0 0 32 34 2 0 0 0 0 32 51 1 0 0 0 0 50 53 1 0 0 0 0 51 52 1 0 0 0 0 M END