MDPI-ZINC04273404 MOE2007 3D CORINA 3.40 0006 02.08.2006 82 87 0 0 1 0 0 0 0 0999 V2000 1.1560 5.0750 -2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1160 4.6090 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 3.7790 1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 4.2220 1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 3.8530 3.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 4.2310 3.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7350 4.9870 3.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 5.3590 1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 4.9740 1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 5.4060 -0.3970 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1430 6.4560 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 5.2360 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 5.3800 -2.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 4.3870 -3.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 4.5190 -4.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 5.6430 -5.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 6.6360 -4.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 6.5070 -3.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5380 6.1660 0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 7.5610 1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4580 8.3060 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4320 7.6740 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4650 6.2940 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 5.5310 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5320 4.1750 0.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4260 5.6850 -1.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3690 6.5330 -1.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 9.8130 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 10.2910 1.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 8.2040 1.9120 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7170 8.1080 2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 7.4960 1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 8.1760 2.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 8.3350 3.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 8.9590 4.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 9.4230 3.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1020 9.2630 2.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 8.6350 1.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 10.2840 2.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 5.3610 3.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 3.8630 4.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 3.0860 5.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 4.7180 -2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 6.1650 -2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 4.6960 -3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 5.6340 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9390 4.1760 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7910 2.7260 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 3.9120 1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 3.2650 3.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8790 4.2470 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 5.9980 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 3.5080 -3.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 3.7430 -5.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 5.7460 -6.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 7.5150 -4.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 7.2840 -2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1710 8.2640 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 3.7410 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0770 5.9220 -2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9060 7.1240 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8430 7.1980 -2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 10.2140 -0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4880 10.1660 0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 11.3710 1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1200 10.0370 2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 6.4540 1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 7.5420 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 7.9720 4.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 9.0840 5.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7350 9.9110 4.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 9.6260 2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 8.5070 0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 9.8990 3.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 11.3590 2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 10.0810 2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 6.2100 4.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 2.1550 5.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 3.6480 5.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 2.8610 6.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 4.5990 -1.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 9.6240 1.5760 N 0 0 0 0 0 0 0 0 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 81 1 0 0 0 0 2 3 1 0 0 0 0 2 46 1 0 0 0 0 2 47 1 0 0 0 0 2 81 1 0 0 0 0 3 4 1 0 0 0 0 3 48 1 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 50 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 81 1 0 0 0 0 12 13 1 0 0 0 0 12 51 1 0 0 0 0 12 52 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 53 1 0 0 0 0 15 16 1 0 0 0 0 15 54 1 0 0 0 0 16 17 2 0 0 0 0 16 55 1 0 0 0 0 17 18 1 0 0 0 0 17 56 1 0 0 0 0 18 57 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 30 1 0 0 0 0 21 22 1 0 0 0 0 21 28 1 0 0 0 0 22 23 2 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 29 82 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 82 1 0 0 0 0 32 33 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 33 34 1 0 0 0 0 33 38 2 0 0 0 0 34 35 2 0 0 0 0 34 69 1 0 0 0 0 35 36 1 0 0 0 0 35 70 1 0 0 0 0 36 37 2 0 0 0 0 36 71 1 0 0 0 0 37 38 1 0 0 0 0 37 72 1 0 0 0 0 38 73 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 39 76 1 0 0 0 0 39 82 1 0 0 0 0 40 77 1 0 0 0 0 41 42 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 42 80 1 0 0 0 0 M END