MDPI-ZINC03844546 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 62 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -1.8000 -1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -2.5520 -0.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -2.3440 -2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -2.6840 -3.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 -2.6100 -4.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -3.0180 -5.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -3.5030 -6.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 -3.5740 -5.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -3.1680 -4.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0370 -3.1290 -3.8940 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 -3.4090 -4.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 -2.6380 -2.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8180 -2.4510 -1.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7570 -3.4540 -1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7050 -3.2730 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7280 -2.1010 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -1.1040 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -1.2690 -0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -3.8300 -7.6420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -4.1900 -8.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -3.5780 -7.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9710 -3.0720 -6.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 -2.6720 -5.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6910 -1.5280 -6.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1410 -3.5730 -5.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4390 -3.1140 -5.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2240 -4.2670 -4.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 -3.8080 -8.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 -4.9970 -9.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2900 -5.2040 -10.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2170 -4.2370 -10.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2940 -3.0560 -10.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 -2.8380 -9.1350 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -2.2380 -3.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 -3.9460 -6.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 -4.3690 -1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4320 -4.0470 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4720 -1.9650 1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8240 -0.1920 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -0.4880 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3400 -2.3050 -4.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9690 -2.7510 -5.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2140 -3.9170 -4.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3220 -5.0760 -5.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6940 -4.6300 -3.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 -5.7530 -9.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2340 -6.1240 -11.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8830 -4.4050 -11.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0200 -2.3060 -10.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 -1.9180 -8.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 40 1 0 0 0 0 2 41 1 0 0 0 0 3 4 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 15 2 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 31 1 0 0 0 0 25 26 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 29 30 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 31 36 2 0 0 0 0 32 33 2 0 0 0 0 32 54 1 0 0 0 0 33 34 1 0 0 0 0 33 55 1 0 0 0 0 34 35 2 0 0 0 0 34 56 1 0 0 0 0 35 36 1 0 0 0 0 35 57 1 0 0 0 0 36 58 1 0 0 0 0 M END