MDPI-ZINC03846525 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 -0.0660 1.4470 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -0.0100 -0.1530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -0.5560 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 0.2730 2.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.2780 3.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -1.6550 3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -2.4870 2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -1.9500 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.8290 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -2.2390 -1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -0.7790 -1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.2550 -2.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -3.0430 -2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -4.2510 -2.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -2.3980 -3.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -3.4820 -4.7570 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7550 -4.1080 -4.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -2.8340 -6.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 -3.0850 -6.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -2.4910 -8.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -1.6460 -8.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 -1.3940 -7.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 -1.9840 -6.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 -4.5020 -4.6020 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 -5.7620 -5.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -6.7550 -5.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1160 -7.7410 -6.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -7.7390 -7.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -6.7510 -7.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 -5.7660 -6.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -4.1700 0.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 1.8380 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 1.7030 -1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 1.8830 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 1.3460 2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 0.3680 4.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -2.0700 4.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -3.5580 2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.7310 -3.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -1.8270 -3.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 -3.7460 -6.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 -2.6880 -8.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -1.1820 -9.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 -0.7330 -8.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -1.7840 -5.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2190 -6.7570 -5.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -8.5130 -7.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -8.5100 -8.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -6.7530 -8.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 -4.9980 -6.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -4.6980 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 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 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 M END