MDPI-ZINC03850236 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 74 0 0 1 0 0 0 0 0999 V2000 -0.3920 1.4680 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -0.0040 -0.0050 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8880 -0.6200 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -0.2050 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 0.0690 -2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 -0.1300 -3.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -0.4560 -3.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 -0.4110 1.2370 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7640 0.1050 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.0800 2.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 -1.4190 3.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -2.3290 2.7390 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7080 -3.3880 2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -1.9320 1.2500 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3540 -2.3000 0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 -2.8290 -0.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -2.0080 1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4320 -2.5590 2.8640 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2860 -3.6380 2.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 -1.9080 3.4890 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3000 -0.8240 3.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 -2.3310 4.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -2.7830 5.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 -2.1740 5.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4950 -2.8350 5.1320 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3380 -3.9120 5.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6700 -2.2420 3.7000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8670 -0.7270 3.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1320 -0.4230 4.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9950 -1.0080 5.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7600 -2.5410 5.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1760 -0.7210 6.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7710 0.0540 7.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2650 -0.2850 8.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8650 -0.4100 6.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9010 -2.8600 3.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -2.6200 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 2.0840 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.7580 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 1.6120 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7170 0.4830 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -1.2310 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 -0.6190 -2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 1.0940 -2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 0.5990 3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 0.3700 2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 -1.2810 4.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -1.8420 2.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -2.5000 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 -0.9320 1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 -1.1150 5.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1140 -2.6590 6.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9680 -0.3180 2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0050 -0.2750 4.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9950 -0.8680 4.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2690 0.6570 4.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6540 -2.9580 6.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6230 -2.9890 5.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3190 -0.2580 8.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9100 1.1190 7.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1240 -1.2250 8.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7260 0.5260 8.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0190 -2.4440 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7870 -2.6350 3.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7730 -3.9400 2.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -2.3480 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -3.7010 0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -2.3020 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 0.0570 -4.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -0.0820 -5.7080 H 0 0 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 8 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 2 0 0 0 0 6 69 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 0 0 0 0 27 28 1 0 0 0 0 27 36 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 35 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 35 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 69 70 1 0 0 0 0 M END