MDPI-ZINC03847480 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 0.4420 1.0840 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.2810 -0.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 -0.7350 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -2.0680 -0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 -2.6620 -0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6090 -1.9280 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4520 -0.5880 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 0.0040 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9750 -2.5780 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5510 -2.7790 1.2970 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6620 -1.8090 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9120 -3.4650 1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9530 -3.0180 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2080 -3.6300 0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4270 -4.6880 1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4340 -5.1320 2.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1780 -4.5120 2.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1240 -5.0150 3.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0290 -3.9890 3.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6460 -5.3080 1.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2900 -3.3000 -0.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1140 -2.2480 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 1.2880 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 1.7490 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 1.2840 1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -2.6460 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 -3.6980 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3140 0.0170 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 1.0450 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6400 -1.9500 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9320 -3.5460 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7750 -2.1790 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6500 -5.9540 2.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5820 -5.2740 4.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6890 -5.9320 2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3900 -3.1070 3.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 -4.4250 3.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1850 -4.8410 0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0550 -2.1260 -1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8940 -1.3010 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3370 -2.4990 -1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5140 -3.5240 2.1150 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1720 -4.3310 1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 -2.9140 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 42 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 42 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 M CHG 1 42 1 M END