OTAVA-ZINC04147399 MOE2007 3D Structure written by MMmdl. 42 45 0 0 0 0 0 0 0 0999 V2000 3.0500 3.4000 5.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8490 4.5220 5.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3900 5.6410 4.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 5.6400 3.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 4.5000 4.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 3.3800 4.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 4.4890 3.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 3.5040 3.5570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 5.6800 2.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 5.6780 2.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 6.7960 1.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 7.9180 1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 7.9370 1.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 6.8200 2.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 6.8310 3.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 7.8160 3.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 9.3330 0.5170 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 9.9840 -0.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 8.8900 -0.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 10.3630 1.6490 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8220 9.9760 2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0910 9.9650 1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1770 9.5790 2.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0110 9.2050 3.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7360 9.2220 4.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 9.6040 3.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1770 8.7940 4.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0310 8.4690 5.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4200 2.5320 5.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 4.5250 5.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0190 6.5140 4.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 2.4990 4.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 4.8050 2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2780 6.7930 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 8.8160 1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 11.2370 1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2190 10.2580 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1600 9.5660 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6040 8.9330 5.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 9.6170 4.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4050 8.7780 4.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0740 8.4770 4.8380 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 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 26 2 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 27 28 2 0 0 0 0 27 41 1 0 0 0 0 41 42 1 0 0 0 0 M END