MDPI-ZINC04701090 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 54 0 0 0 0 0 0 0 0999 V2000 -0.0840 0.3920 0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 0.0250 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 0.2860 -0.1590 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 0.8540 0.8950 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0630 1.1150 0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7850 1.7560 2.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3790 2.2540 3.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 2.8080 4.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6450 2.8680 3.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0570 2.3770 2.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1330 1.8150 1.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2770 1.2580 0.4490 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0970 0.8360 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 0.3140 -1.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 -0.5960 -1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 0.1750 -2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 -0.5220 -3.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 0.1990 -4.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -0.4660 -5.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.8530 -5.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -2.5830 -4.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -1.9280 -3.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.6550 -2.6110 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 -2.0580 -1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -2.7380 -0.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -4.0520 -2.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -4.6980 -3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -6.0770 -3.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -6.8140 -2.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 -6.1730 -2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -4.7940 -2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 1.5220 -2.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -0.4100 1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 0.5360 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 1.3140 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3400 2.2060 3.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0020 3.1950 5.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3680 3.3030 4.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0990 2.4290 2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1210 1.1860 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 1.2780 -4.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 0.0900 -6.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 -2.3660 -6.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 -3.6610 -4.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 -4.1240 -3.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -6.5800 -3.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -7.8920 -2.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 -6.7510 -1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 -4.2940 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 1.9210 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 15 16 2 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 2 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 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 29 30 2 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 M END