MDPI-ZINC04264768 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 -2.1400 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1390 -2.4480 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 -2.7340 0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -4.2500 0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -4.8830 -0.5770 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7760 -6.3680 -0.4410 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7280 -6.8400 -0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 -6.6260 0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -8.1200 0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -8.6680 -0.4560 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0530 -8.4660 -1.5280 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9830 -8.9720 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -7.0240 -1.7640 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3040 -7.0120 -2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -6.2380 -2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 -6.7640 -3.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -4.7830 -2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -4.1590 -1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -2.6440 -1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -9.2980 -2.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -10.5480 -1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -10.1670 -0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -10.8910 0.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 -8.0120 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4760 -4.7460 -1.1850 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 -2.3120 -2.3190 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 -2.4770 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -4.4630 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 -4.6720 1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -6.0710 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -6.2650 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -8.2530 1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -8.6490 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -4.2010 -2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 -2.2370 -1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -2.3120 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -9.5930 -3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -8.7820 -3.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 -11.3820 -2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -10.8170 -2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -8.2100 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -8.4220 -1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -6.9360 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7390 -3.6910 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 -5.1910 -2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1990 -5.2590 -0.5520 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