MDPI-ZINC01719205 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 67 0 0 1 0 0 0 0 0999 V2000 -0.8460 0.9820 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -0.1990 -0.5250 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8450 0.0780 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -0.6020 0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 0.3280 1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -0.0340 2.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -1.3210 3.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 -2.2490 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -1.9080 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -2.9550 0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -2.6880 -0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -1.0980 -2.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0050 -1.5680 4.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 -2.8820 4.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 0.8420 3.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 1.8240 2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 3.1210 3.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4990 4.1680 2.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1730 3.9000 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 2.5980 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 1.5680 1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7600 0.2900 0.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9220 2.1970 -0.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 3.1900 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4160 5.5900 2.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1890 5.7950 3.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 3.3800 4.4380 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2880 3.0370 4.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1410 2.6560 5.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 5.1610 5.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 1.8560 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 1.3060 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 0.7190 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 1.3380 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -3.2610 2.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -3.9480 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 -2.9620 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -2.7050 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 -3.4200 -1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -1.0950 -3.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 -0.1480 -2.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -1.9120 -2.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 -2.9030 5.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 -3.1300 5.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3340 -3.6220 4.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6240 4.7290 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3370 0.3680 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1780 2.7010 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0180 3.9640 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4460 3.6230 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3320 5.8310 3.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3510 6.2760 1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1620 6.8200 4.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 5.5760 3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1820 3.0000 5.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7230 2.8240 6.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1610 1.5730 5.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 4.9670 5.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 6.2110 6.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 4.5240 6.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -1.3180 -1.1590 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6520 -1.3160 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2760 4.8670 4.8530 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1670 5.0810 5.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 61 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 11 61 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 61 1 0 0 0 0 13 14 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 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 27 1 0 0 0 0 18 19 1 0 0 0 0 18 25 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 23 1 0 0 0 0 21 22 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 63 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 63 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 63 1 0 0 0 0 61 62 1 0 0 0 0 63 64 1 0 0 0 0 M CHG 1 61 1 M CHG 1 63 1 M END