MDPI-ZINC03851926 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 73 0 0 1 0 0 0 0 0999 V2000 -0.0390 1.7210 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 0.2040 -0.0690 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6810 -0.0790 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -0.4290 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -1.0580 1.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8790 -0.2170 1.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -0.6720 2.7030 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7950 -0.6190 3.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7390 0.2130 3.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3340 1.6540 3.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4990 2.6090 3.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6580 2.1360 3.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -2.1400 2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1150 -2.6470 1.3460 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 -2.1040 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4620 -3.5890 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 -2.8010 3.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -0.3590 -0.3200 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 -0.3190 -1.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 0.1820 -2.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2820 -0.9690 -1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9670 -0.9150 -2.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3420 -1.5800 -2.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0310 -1.5280 -4.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3310 -2.1650 -4.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1360 -2.2390 -5.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8030 -1.7750 -6.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4830 -2.9500 -5.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2900 -2.9700 -6.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6420 -3.6760 -6.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4530 -2.9290 -5.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6820 -2.9190 -3.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3290 -2.2120 -4.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4330 -4.3680 -3.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6190 -5.1230 -4.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3960 -5.1210 -5.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2670 -4.4140 -4.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 2.1430 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 2.1850 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 2.0180 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 0.2850 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 -0.2010 3.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4400 0.1990 2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7650 2.0780 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 1.6630 4.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 -0.8030 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1620 -2.0120 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8970 -0.4570 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0710 0.1300 -3.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3380 -1.4120 -3.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2380 -2.6250 -2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9710 -1.0840 -2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1730 -0.4920 -4.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4310 -2.0390 -4.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6500 -2.5620 -3.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4570 -1.9460 -6.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7170 -3.4810 -7.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1950 -3.6790 -7.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6500 -1.9010 -5.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4280 -3.4120 -5.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2660 -2.3890 -3.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8020 -2.1710 -3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4920 -1.1700 -4.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8960 -4.3750 -2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3900 -4.8770 -3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4500 -6.1550 -4.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3530 -5.6430 -5.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8330 -5.6690 -6.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6670 -4.9550 -5.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7000 -4.4560 -3.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1410 3.7740 3.9390 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 18 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 41 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 2 0 0 0 0 11 71 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 18 19 1 0 0 0 0 18 46 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 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 28 37 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 36 1 0 0 0 0 30 58 1 0 0 0 0 31 32 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 35 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 M CHG 1 71 -1 M END