MDPI-ZINC04264721 MOE2007 3D CORINA 3.40 0006 02.08.2006 63 66 0 0 0 0 0 0 0 0999 V2000 -2.5660 -1.1280 1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -1.3640 0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -0.8690 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -1.0880 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -1.7980 -0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -2.2920 -1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 -2.0810 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 -2.5720 -1.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -1.7940 -1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 -0.7460 -2.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2150 -2.2140 -2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9140 -1.3590 -3.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1220 -1.7580 -3.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6420 -3.0020 -3.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9560 -3.8540 -2.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7440 -3.4700 -2.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -3.0650 -2.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 -3.0630 -2.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -2.1050 -3.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 -2.1000 -4.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1610 -3.0580 -3.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 -4.0210 -2.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 -4.0200 -2.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 -4.9590 -1.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 -6.1070 -2.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -6.2650 -3.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 -7.1730 -1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -8.3640 -1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -9.3550 -0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -9.1710 0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -7.9940 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -6.9960 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7310 -5.0630 -2.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 -1.0720 -5.2690 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9370 -0.1680 -5.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8050 -1.1300 -5.7630 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3900 -0.5600 1.2490 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4660 -0.7510 0.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 0.0670 2.2920 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.9970 -0.1980 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 -1.9560 1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -1.0600 2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 -1.9670 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5090 -0.3880 -3.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6640 -1.0980 -4.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5890 -3.3090 -4.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3680 -4.8230 -2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2070 -4.1370 -1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 -4.0920 -2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -2.6000 -3.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -1.3590 -4.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -8.5080 -2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -10.2760 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -9.9500 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -7.8570 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 -6.0800 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2420 -4.6970 -1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1940 -5.9800 -2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4630 -5.2640 -3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4400 -3.0540 -4.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -0.1700 2.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -0.7180 3.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0470 -2.5220 -3.7810 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 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 61 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 14 15 2 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 60 1 0 0 0 0 22 23 1 0 0 0 0 22 33 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 31 2 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 60 63 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 34 1 M CHG 1 36 -1 M CHG 1 37 1 M CHG 1 39 -1 M END