B96MSA -OEChem-04022108533D 25 27 0 0 0 0 0 0 0999 V2000 2.6805 -1.7612 -0.0589 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1223 -1.1775 -0.0767 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9502 2.5514 0.3461 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0134 -2.9260 -0.2186 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3807 -0.7959 -0.0767 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 0.3068 0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5967 0.7091 0.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 1.2105 0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5184 -1.0509 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 -0.6626 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2363 -1.5894 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2065 0.4144 0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7517 1.5904 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6962 -0.8655 0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9883 1.0921 0.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2396 -0.3522 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0816 3.3067 -0.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7972 1.3139 0.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 2.6585 0.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -1.2841 0.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8519 1.7460 0.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9485 -3.0693 -0.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 4.3608 -0.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1955 3.2002 -1.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9733 2.9936 -1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 3 8 1 0 0 0 0 3 17 1 0 0 0 0 4 11 1 0 0 0 0 4 22 1 0 0 0 0 5 16 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 13 1 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 M END $$$$