MDPI-ZINC03849085 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 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 0.0230 -0.7090 1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0670 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7130 -0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -1.9880 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6540 -1.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -2.9150 -2.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -4.2020 -1.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -4.0710 -0.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -5.4090 -2.3460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -2.6280 -3.5500 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -3.5820 -4.4180 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -3.2910 -5.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -4.3240 -6.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -4.0260 -8.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -2.7020 -8.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -1.6730 -7.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -1.9610 -6.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -2.4130 -9.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -1.0310 -10.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -2.8490 2.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -1.9640 3.5610 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -3.6700 2.5450 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -3.6390 2.5220 F 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 0.0250 -0.1780 2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -5.4090 -3.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -6.2490 -1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -5.3530 -6.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -4.8230 -8.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -0.6450 -7.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -1.1600 -5.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -0.5620 -9.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 -0.5370 -9.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -0.9410 -11.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 30 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 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 M END