MDPI-ZINC04204380 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 62 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 -2.1400 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 -2.7440 0.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0200 -2.3500 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 -4.2670 0.1270 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7680 -4.6570 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 -4.8680 0.0760 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3470 -4.5170 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4540 -4.4280 -1.2220 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9030 -4.8210 -2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4730 -2.8980 -1.2860 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0580 -2.5070 -0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1350 -2.4030 -1.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0700 -2.4730 -2.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2560 -1.1550 -2.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9320 -0.3820 -1.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8710 -0.6400 -3.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8280 -4.9370 -1.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4520 -5.1300 -2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8770 -4.8810 -3.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7150 -5.5980 -2.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3250 -5.7800 -3.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7270 -6.3070 -3.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7860 -5.4270 -3.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0720 -5.9090 -3.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2990 -7.2720 -3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2390 -8.1530 -3.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9540 -7.6700 -3.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6800 -6.3170 0.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6980 -6.8980 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7840 -6.2190 2.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6090 -8.3980 1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 -4.6170 1.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -4.7350 1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -4.5510 0.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 -5.0960 2.6530 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 -0.5270 -2.4640 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -2.4730 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9540 -0.5940 -3.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4850 0.3580 -4.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6180 -1.3100 -4.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2870 -5.1360 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3570 -4.8250 -4.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7380 -6.4920 -4.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6100 -4.3620 -3.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9000 -5.2220 -3.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3030 -7.6500 -3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4160 -9.2180 -3.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1270 -8.3580 -3.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5380 -8.8370 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 -8.6660 2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -8.7770 1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 -6.1800 2.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -4.6510 2.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 -4.7180 3.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 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 43 1 0 0 0 0 5 44 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 36 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 21 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 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 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 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 59 1 0 0 0 0 39 60 1 0 0 0 0 39 61 1 0 0 0 0 M END