MDPI-ZINC03846795 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.6370 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -2.0250 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 -2.6700 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -1.9280 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 -0.5350 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.1050 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9620 -2.6190 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0700 -4.0230 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3360 -4.5660 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3300 -3.8780 0.0530 O 0 3 0 0 0 0 0 0 0 0 0 0 -7.3490 -2.6660 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1760 -1.9160 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6530 -1.9650 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8410 -2.6970 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0530 -2.0420 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0930 -0.6540 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9130 0.0790 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6980 -0.5710 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2900 -0.0110 0.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2580 1.4180 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -2.5990 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 -3.7500 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5070 0.0430 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 1.1840 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1910 -4.6520 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4450 -5.6410 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2000 -0.8370 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8100 -3.7770 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9720 -2.6080 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9480 1.1580 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7800 -0.0010 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7280 1.7650 1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7450 1.7750 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2780 1.8040 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 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 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 29 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 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M CHG 1 12 1 M END