MDPI-ZINC03844446 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3580 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 1.2300 -0.6850 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 0.0570 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 -0.6240 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 -1.9850 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -2.7190 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -2.0930 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -2.8230 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -4.2460 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 -4.8920 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 -4.5700 -1.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 -5.1280 -1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 -4.7200 -2.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0050 -5.3040 -3.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 1.4660 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 2.0920 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5260 2.1960 -0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3900 3.6180 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7760 4.2640 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4370 3.9560 -1.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7480 4.5150 -1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3560 4.1220 -2.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 4.7190 -3.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 1.8760 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5590 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5920 -0.0690 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 -2.5040 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -3.7980 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -4.5530 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -4.5630 0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -5.9740 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -4.5160 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 -6.2140 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7170 -4.7560 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7720 -5.0700 -2.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7220 -3.6340 -2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 -5.0880 -4.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 3.1710 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8350 3.9350 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 3.9250 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6740 5.3450 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3630 3.8780 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6870 5.6010 -1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 4.1340 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3880 4.4730 -2.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3360 3.0380 -2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9300 4.5120 -4.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 17 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 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 16 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 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 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 20 43 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 M END