MDPI-ZINC04267292 MOE2007 3D CORINA 3.40 0006 02.08.2006 73 78 0 0 1 0 0 0 0 0999 V2000 -0.6070 1.7320 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 0.2320 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.5670 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -1.9070 0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -2.8950 1.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 -1.8900 -0.4990 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 -0.5580 -0.8230 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 -0.0870 -2.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -3.0050 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -4.1220 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 -5.2200 -1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -5.2100 -2.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -4.1000 -3.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -2.9950 -2.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -0.1440 2.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -1.1280 3.3960 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4640 -2.0460 3.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -0.5680 4.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 -0.3870 5.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -0.6780 4.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 0.1220 6.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 0.1790 6.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 0.7150 8.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8300 0.7940 8.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0980 1.2960 9.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 1.7280 10.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 1.6600 10.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 1.1530 9.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 1.0810 8.5880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 0.5920 7.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 0.5430 7.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 1.5460 9.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 -0.2470 6.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 -1.4240 3.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 -2.7500 3.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -3.8260 3.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 -5.0980 3.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 -5.3530 3.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7740 -4.3360 2.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3130 -3.0090 2.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -1.9350 2.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 -0.6620 2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 -0.4040 2.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9040 0.8780 2.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 2.1910 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 2.0550 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 2.0350 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 0.9920 -2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -0.3220 -2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 -0.5800 -2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 -4.1300 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 -6.0890 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -6.0710 -3.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 -4.0950 -4.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.1270 -3.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 0.7990 2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 -1.2610 5.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 0.3950 4.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6360 0.4600 7.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1200 1.3560 10.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 2.1230 11.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 2.0010 10.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 0.7170 10.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 1.9230 8.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 2.3430 10.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -0.5410 5.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 -3.6430 3.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 -5.9230 3.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.3720 3.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8080 -4.5490 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2130 -2.1200 2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3620 0.1610 2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9780 1.3140 3.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 48 1 0 0 0 0 8 49 1 0 0 0 0 8 50 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 51 1 0 0 0 0 11 12 1 0 0 0 0 11 52 1 0 0 0 0 12 13 2 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 54 1 0 0 0 0 14 55 1 0 0 0 0 15 16 1 0 0 0 0 15 56 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 18 19 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 22 33 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 59 1 0 0 0 0 25 26 1 0 0 0 0 25 60 1 0 0 0 0 26 27 2 0 0 0 0 26 61 1 0 0 0 0 27 28 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 30 31 2 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 33 66 1 0 0 0 0 34 35 1 0 0 0 0 34 43 2 0 0 0 0 35 36 1 0 0 0 0 35 40 2 0 0 0 0 36 37 2 0 0 0 0 36 67 1 0 0 0 0 37 38 1 0 0 0 0 37 68 1 0 0 0 0 38 39 2 0 0 0 0 38 69 1 0 0 0 0 39 40 1 0 0 0 0 39 70 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 71 1 0 0 0 0 42 43 1 0 0 0 0 42 72 1 0 0 0 0 43 44 1 0 0 0 0 44 73 1 0 0 0 0 M END