MDPI-ZINC03845101 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2040 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0340 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4290 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -0.6850 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 -1.9000 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 0.0080 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1320 -0.7040 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2790 0.3090 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5960 -0.4230 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1880 -0.7530 -1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3970 -1.4250 -1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0120 -1.7660 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4200 -1.4360 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2140 -0.7600 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0900 -1.8090 2.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0190 -0.6750 2.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6710 -1.0370 4.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5390 -0.1840 4.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7810 0.8860 4.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1970 -0.5500 5.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0960 0.3310 6.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7060 -0.0160 7.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4290 -1.2350 8.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5380 -2.1130 7.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9170 -1.7750 6.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.7600 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9880 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 3.1730 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8360 0.9780 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2080 -1.3340 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1920 -1.3250 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2020 0.9390 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2190 0.9300 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7080 -0.4860 -2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8590 -1.6830 -2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9560 -2.2920 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7530 -0.4990 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3330 -1.9740 3.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6710 -2.7200 2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7760 -0.5090 2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4380 0.2370 2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4780 -1.8910 4.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3140 1.2830 6.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4020 0.6650 8.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9100 -1.5020 9.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3260 -3.0620 8.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2190 -2.4600 6.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 M END