B4M8LQ -OEChem-04022106553D 40 42 0 0 0 0 0 0 0999 V2000 -6.6214 -1.2245 0.3231 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2948 0.8723 0.5075 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5709 0.1279 -1.5863 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6320 -1.9957 1.5583 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6643 -0.2382 0.0774 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6117 -2.0361 -1.6838 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6001 -0.9372 -1.6044 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5651 -2.3041 -1.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5070 -1.3081 1.2127 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5902 0.8206 -0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3136 1.4663 -0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0366 0.4701 0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8149 1.6209 0.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3393 0.1365 0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1225 1.2791 0.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0692 -0.4386 0.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8665 2.5858 -0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7032 1.3489 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7168 -0.3372 0.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5158 2.6864 -0.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9427 0.7193 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9563 -0.9668 0.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6457 -0.1072 -1.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.6876 0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6665 0.7596 2.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8387 -1.2825 -1.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4708 -1.0300 0.7713 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3082 1.7490 1.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4491 3.2560 -1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6364 2.2483 -1.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8734 -0.7808 1.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2026 3.4444 -0.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7950 1.1444 -1.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0309 -1.8710 1.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6636 1.8530 2.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6486 0.4793 2.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9343 0.4515 2.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3598 -1.3437 -2.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4662 -3.3057 -0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1703 -2.1029 -1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 3 23 2 0 0 0 0 6 26 2 0 0 0 0 7 23 1 0 0 0 0 7 26 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 27 3 0 0 0 0 10 11 1 0 0 0 0 10 18 2 0 0 0 0 10 19 1 0 0 0 0 11 17 2 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 12 23 1 0 0 0 0 13 15 1 0 0 0 0 13 20 2 0 0 0 0 14 24 2 0 0 0 0 14 25 1 0 0 0 0 15 28 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 20 1 0 0 0 0 17 29 1 0 0 0 0 18 21 1 0 0 0 0 18 30 1 0 0 0 0 19 22 2 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 M END $$$$