MDPI-ZINC03851926 MOE2007 3D CORINA 3.40 0006 02.08.2006 72 74 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -1.2130 2.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -0.1610 1.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 -0.6470 2.6130 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0350 -0.6970 3.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8720 0.3110 2.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2970 1.6720 3.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4240 2.6150 3.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5690 2.2380 3.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2860 -2.0190 2.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1090 -2.5410 1.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9810 -2.6670 3.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 -0.6430 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 -0.3410 -2.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4650 -1.1640 -1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -1.2150 -2.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4360 -1.7450 -2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9710 -1.7960 -3.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3460 -2.3030 -3.9770 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0240 -2.4340 -5.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4970 -2.1330 -6.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4380 -2.9560 -5.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9740 -3.0070 -6.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4090 -3.5360 -6.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2890 -2.6090 -5.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7530 -2.5580 -4.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3180 -2.0280 -4.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7730 -3.9640 -3.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8940 -4.8920 -4.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4290 -4.9430 -5.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4580 -4.3620 -4.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 0.4060 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4530 -0.0950 3.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 0.4310 2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 2.0780 2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 1.5520 4.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 -2.2500 4.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 -3.5510 3.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -0.7520 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 -2.1660 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0910 -0.5030 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9860 -0.2130 -2.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3740 -1.8760 -3.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4500 -2.7470 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0620 -1.0840 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9570 -0.7940 -4.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3450 -2.4560 -4.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7680 -2.5440 -3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9590 -2.0050 -6.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3470 -3.6680 -7.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7910 -3.5730 -7.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2740 -1.6070 -6.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3110 -2.9860 -5.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3800 -1.8970 -3.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9360 -1.9920 -3.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3030 -1.0260 -4.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3920 -3.9280 -2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7960 -4.3420 -3.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9080 -5.8940 -4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4520 -5.3200 -5.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8030 -5.6040 -6.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8320 -5.0230 -5.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0770 -4.3260 -3.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 3.8740 4.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9110 4.4420 4.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 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 39 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 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 71 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 26 35 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 34 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 71 72 1 0 0 0 0 M END