L3KBQ7 -OEChem-05022321592D 27 29 0 0 0 0 0 0 0999 V2000 4.2065 -1.8247 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6067 1.8921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2495 0.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1527 -0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0188 -0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2065 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1527 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 -0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 0.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0188 -2.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6229 -1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0027 1.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7948 -0.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9007 1.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8028 1.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9173 0.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5097 0.8227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9164 1.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0188 -2.6399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0029 -1.0199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4217 -1.8299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4622 1.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3281 -0.3293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8983 2.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3409 1.3364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 17 1 0 0 0 0 2 27 1 0 0 0 0 3 17 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 13 2 0 0 0 0 6 9 1 0 0 0 0 6 12 2 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 14 2 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 22 1 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 M END $$$$