MDPI-ZINC03844011 MOE2007 3D CORINA 3.40 0006 02.08.2006 65 68 0 0 1 0 0 0 0 0999 V2000 0.7830 -0.2620 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -0.0390 -0.1010 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5600 -0.4730 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 1.4620 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 2.1170 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 3.6180 -0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 4.2290 -0.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 -0.7040 0.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9670 -0.4810 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -0.2420 1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -1.4580 2.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 -2.3250 1.6830 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0080 -1.8010 1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -2.2320 0.1720 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2090 -2.9420 -0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -4.3470 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 -4.7510 1.0450 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8230 -4.8650 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 -3.7250 2.1750 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1680 -3.7950 2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 -4.1470 3.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 -5.3710 3.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -6.0530 3.1370 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4730 -5.4430 3.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -6.1320 1.6150 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7930 -6.7170 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 -8.0970 1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 -8.0340 3.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 -7.4390 3.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6650 -7.0350 1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 -2.7700 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 0.5010 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.1980 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -1.2480 1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 1.6200 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 1.9070 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 1.9590 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 1.6720 -1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 3.7760 -1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 4.0630 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 5.1830 -1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 0.5970 1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 0.0380 1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -1.1270 3.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0280 -1.9730 2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 -3.0330 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -2.3760 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -5.0740 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -4.3770 0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 -3.5330 3.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 -5.8280 4.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -6.8080 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6310 -6.0550 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -8.8080 1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -8.4550 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -9.0430 3.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 -7.4180 3.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -7.3460 4.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -8.0920 3.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 -7.0710 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 -8.0410 1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 -6.6380 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 -2.3690 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 -3.8580 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3540 -2.4630 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 25 26 1 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 M END