MDPI-ZINC03845797 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 -0.6200 1.5140 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 0.0220 -0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -0.5050 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -1.8750 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -2.7170 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 -2.1900 -1.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 -0.8210 -1.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -4.4620 -0.3000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -4.9870 -1.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -4.6710 0.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 -5.0360 -0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 -5.3880 -1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 -5.1840 1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 -4.3860 2.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 -4.5330 3.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 -5.4710 3.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6780 -6.2720 2.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 -6.1230 1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6640 -7.2210 3.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5860 -7.6490 2.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7900 -7.8620 4.6180 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.3100 -9.1750 4.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 -7.5880 5.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0240 -6.9390 5.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3370 -7.3730 5.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3050 -6.6490 6.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9610 -5.4910 6.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6480 -5.0580 6.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6790 -5.7840 6.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0160 -4.7010 7.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 1.9170 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 1.7360 -1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 1.9700 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 0.1520 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -2.2860 1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 -2.8480 -2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 -0.4090 -2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 -6.4360 -1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6240 -5.2280 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 -4.7630 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -3.6520 2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 -3.9120 4.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5480 -5.5830 4.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -6.7410 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1660 -8.5070 1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5420 -7.9270 2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7380 -6.8310 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6060 -8.2770 4.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3310 -6.9870 6.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3790 -4.1540 7.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6530 -5.4480 6.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0920 -5.0590 8.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7440 -3.6460 7.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9760 -4.8280 7.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 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 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 M END