MDPI-ZINC03847452 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 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 0.6060 -0.6080 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 0.1590 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 -0.4560 -3.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -1.8360 -3.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -2.6060 -2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -1.9960 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -2.7520 -0.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -4.1710 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 -2.5010 -4.3870 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7700 -3.5240 -4.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 -2.5220 -5.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -2.8400 -5.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 -2.8760 -6.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -2.5920 -7.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -2.2750 -7.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -2.2380 -6.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 -1.8780 -7.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3050 -2.2880 -5.9770 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3620 -3.3760 -5.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6850 -1.7180 -6.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0170 -0.7160 -5.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -2.6270 -8.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -3.1880 -6.1160 O 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 1.1260 1.2370 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 0.1420 -3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 -3.6840 -2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -4.6540 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -4.4830 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -4.4590 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -3.0610 -4.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -2.0540 -8.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7230 -2.3960 -8.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 -0.8010 -7.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 -1.7820 -8.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 -2.4230 -5.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -1.7620 -4.7320 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5390 -0.7730 -4.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5460 -2.3230 -7.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4200 -1.9200 -7.1090 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 41 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 41 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 41 42 1 0 0 0 0 43 44 1 0 0 0 0 M END