OTAVA-ZINC05580533 MOE2007 3D Structure written by MMmdl. 47 50 0 0 0 0 0 0 0 0999 V2000 8.5630 5.1020 3.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1710 4.9190 3.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5700 5.9370 2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2920 5.7690 1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6160 4.5820 2.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2160 3.5660 2.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4940 3.7320 3.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 4.3680 1.3880 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 5.6690 1.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 3.3750 2.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 3.7750 -0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 2.4550 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8180 2.0610 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7170 2.8870 -0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1070 0.6140 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4180 0.1400 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6510 -1.2170 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5890 -2.1090 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 -1.6530 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 -0.2870 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7640 0.1750 -0.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 1.4880 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 1.9060 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 1.0760 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 1.8990 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 3.1780 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 3.1780 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8600 -3.5920 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0660 -1.7360 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5070 5.5270 4.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0660 4.1360 3.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1230 5.7750 2.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0980 6.8640 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 6.5640 1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6860 2.6400 2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9640 2.9370 3.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2470 0.8340 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 -2.3570 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 1.5710 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 4.0550 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9340 -3.9540 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0450 -4.1070 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 -3.7870 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4170 -1.8660 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0960 -2.6940 -0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7090 -1.0230 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 22 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 M END