MDPI-ZINC03851447 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 0.5870 2.0090 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 0.5110 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 0.0110 0.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 -0.2670 -1.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -1.7010 -1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -2.4180 -2.6420 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6270 -2.0220 -3.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -3.9180 -2.4070 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9030 -4.0830 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -4.6360 -3.7600 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8850 -4.2830 -4.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -4.3320 -4.5380 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2070 -4.7940 -5.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 -2.8160 -4.6900 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5710 -2.4250 -5.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 -2.2070 -3.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 -2.5180 -5.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 -1.2320 -5.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0790 -0.3840 -5.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1570 -0.8470 -6.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -6.0670 -3.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 -6.7740 -4.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -6.2150 -5.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 -8.2650 -4.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 -4.4350 -1.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -4.4160 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -3.9820 0.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 -4.9370 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 2.3130 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 2.3130 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 2.4840 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -2.0330 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 -1.9340 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7560 -1.7390 -6.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 -0.3750 -7.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7220 -0.1480 -5.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 -5.8730 -3.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -8.4790 -3.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 -8.7300 -5.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -8.6640 -3.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 -5.2840 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 -4.1390 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -5.7640 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 -4.8680 -3.8070 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 -4.5900 -4.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 44 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 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 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 37 44 1 0 0 0 0 44 45 1 0 0 0 0 M END