MDPI-ZINC03848603 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.1120 1.0620 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 1.0220 2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 1.3900 3.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 1.7510 3.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 2.0760 4.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 2.0450 5.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 1.6850 5.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 1.3570 4.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 1.0040 4.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 1.6540 7.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 2.0050 8.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 1.8110 2.3060 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9600 2.8510 2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1330 1.0380 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 1.1890 2.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0800 1.3700 1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8980 2.4800 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6980 2.6500 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6840 1.7090 -0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8670 0.5950 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0570 0.4280 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2490 -0.6610 0.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8530 -0.3300 -1.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7060 -0.0900 -2.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -0.0260 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 1.4010 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 1.4870 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 1.4760 2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -0.0620 2.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6660 2.3560 4.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 2.3000 6.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 1.7470 4.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 3.0230 8.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 1.3180 8.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 1.9390 9.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 -0.0290 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6390 1.2240 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0930 0.1260 2.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6740 1.6790 3.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9120 3.2160 2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3360 3.5180 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3110 1.8440 -1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6650 -1.4220 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7410 -0.0380 -2.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4290 0.8530 -3.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5980 -0.9020 -3.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 1.4980 1.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 47 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 12 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 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 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 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 43 1 0 0 0 0 23 24 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 M END