MDPI-ZINC04264769 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -0.5940 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -0.6910 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -2.1360 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1400 -2.4240 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 -2.7380 -0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 -2.3510 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5370 -2.6030 1.4320 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7690 -3.2940 1.9730 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6490 -2.7900 1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8680 -3.2020 3.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1710 -3.8460 4.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1740 -5.3000 3.5920 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0550 -5.3990 2.0610 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.9330 -4.8720 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8170 -4.7630 1.5080 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8910 -4.7520 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 -5.4640 1.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -6.6680 2.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 -4.6980 1.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 -3.4030 1.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -2.6670 1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2840 -6.8970 1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4230 -7.2170 2.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4740 -6.0460 3.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3430 -5.7660 4.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0860 -6.0590 4.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 -1.2410 2.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -2.3980 -1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1700 -3.8250 -0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 -1.2940 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 -2.9570 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0090 -3.6780 3.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9030 -2.1550 3.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2180 -3.7650 5.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0250 -3.3280 3.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -5.2040 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -3.3710 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 -1.8570 2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6230 -7.0740 0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3980 -7.4910 2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3730 -7.2980 2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2070 -8.1390 3.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2640 -5.9790 5.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 -7.1090 4.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1120 -5.6330 4.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2400 -0.6140 1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3380 -1.3730 3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 -0.7640 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 17 18 1 0 0 0 0 17 19 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 41 1 0 0 0 0 22 23 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M END