IFLAB-ZINC04941714 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 0.0840 1.3580 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -0.0210 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -0.6640 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 0.0730 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 1.4520 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 2.0990 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 3.4990 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 4.3000 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 5.6010 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 5.5790 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 4.3190 -0.7480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 6.9400 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 8.1080 -0.2990 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 6.9810 0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 3.8820 1.5520 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3760 4.6410 2.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7380 5.6370 2.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 4.2550 3.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1880 3.2590 3.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9020 5.0140 4.5030 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0540 4.6360 5.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9030 5.2150 6.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1070 6.1530 6.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5480 6.5530 5.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3450 5.2420 4.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -2.0130 -0.2790 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 1.8590 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -0.5980 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4930 -0.4300 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 2.0270 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 6.9990 -1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 7.1390 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 7.1900 1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 7.0630 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 3.0450 1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 5.8100 4.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1390 3.5500 5.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9730 5.7770 6.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9150 4.4100 7.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8050 7.0340 7.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9120 5.6260 7.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9120 7.3470 5.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5950 6.8550 5.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1880 4.5680 4.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2160 5.4580 3.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 M END