MDPI-ZINC03851417 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -0.6410 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -0.0060 -0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -2.1200 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 -2.8220 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -4.2060 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -4.8930 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -4.2080 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -2.8200 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 -2.0440 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 -2.6160 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -0.6980 0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4620 0.0610 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 0.2250 -1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 1.0180 -1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8140 1.1820 -2.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0670 1.9400 -2.7770 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2240 1.2850 -2.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2230 0.0820 -2.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4950 2.0410 -2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7120 1.4120 -2.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8760 2.1600 -2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8360 3.5270 -2.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6300 4.1700 -2.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4540 3.4340 -2.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1410 4.0760 -2.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0690 5.2750 -3.1560 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0250 3.3210 -2.9770 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7300 3.9680 -3.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 -2.2910 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 -4.7530 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -5.9730 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -4.7500 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 -0.4730 0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 1.0440 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 0.7600 -1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1610 -0.7580 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0310 0.4830 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1140 2.0000 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 1.7160 -3.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9910 0.1990 -3.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7500 0.3440 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8240 1.6710 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7520 4.0980 -2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6050 5.2380 -2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5140 3.9840 -4.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7630 4.9890 -2.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9510 3.4110 -2.6830 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 13 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 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 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M END