MDPI-ZINC03845132 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 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 1.2060 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0310 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4200 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0890 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -0.6490 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8220 0.0690 -0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0400 -0.6100 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2340 0.1040 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4380 -0.5640 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4600 -1.9590 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2620 -2.6740 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0600 -2.0000 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7540 -2.6810 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7740 -4.0770 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9710 -4.7460 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1720 -4.0290 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1500 -2.6300 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9520 -1.9640 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3640 -4.6940 -0.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4710 -4.0320 -0.1550 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6650 -4.6980 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8670 -3.9840 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0670 -4.6630 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0840 -6.0470 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8980 -6.7600 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6900 -6.0950 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9050 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 1.2200 -1.7600 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 1.9760 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 3.1690 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 -1.6190 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8080 1.0390 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2160 1.1840 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3650 -0.0090 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2770 -3.7540 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 -2.5530 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8460 -4.6300 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9860 -5.8260 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0770 -2.0750 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9350 -0.8840 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8550 -2.9050 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9970 -4.1130 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0270 -6.5730 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9190 -7.8400 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7650 -6.6530 -0.1580 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 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 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 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 39 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 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 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 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 22 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 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 M END