D07EBU -OEChem-04152110152D 40 42 0 1 0 0 0 0 0999 V2000 4.4903 -0.2984 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9022 -2.3414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1425 -0.9659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6313 -1.9102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9378 0.5324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1967 1.4983 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4601 2.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5652 -0.0596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2231 0.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3368 0.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5956 0.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1463 -1.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5698 -0.6891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5736 -0.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6569 -1.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1790 0.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 -1.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7179 -0.2886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 2.3194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7779 3.0133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8469 2.5729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9971 -0.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0288 1.4688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6374 0.6769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1419 -0.5650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9308 -0.1542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1896 0.8117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7905 1.5781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -1.2841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8736 -2.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7498 0.4737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9368 0.8021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6083 -0.0108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5079 0.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6444 0.5508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4921 -0.3127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 -1.4205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8889 -2.2445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7129 -1.9446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 15 2 0 0 0 0 8 3 1 1 0 0 0 3 12 2 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 4 31 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 19 1 1 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 20 1 6 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 1 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 30 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 M END $$$$