BKD8E4 -OEChem-04012112593D 40 42 0 0 0 0 0 0 0999 V2000 4.9356 -1.5247 -0.0911 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3579 -3.3416 -0.3205 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1760 -1.8172 0.9959 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1580 -1.4954 -1.1599 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1061 4.3809 -1.5563 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3080 -2.2065 -1.3228 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5344 -0.2374 0.2324 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9527 -0.9388 0.0124 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9768 -0.0077 0.1524 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2049 3.1846 1.8725 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1797 -2.5887 1.2233 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4228 -1.0756 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6815 0.2146 0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8602 -1.9598 -0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0950 -1.3613 -0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0731 1.5149 0.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0095 -2.0892 -0.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2238 -0.2000 0.7212 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1985 -1.3516 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3973 -2.2273 -0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6117 -0.3378 0.6967 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4207 -1.9925 -0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7786 2.3216 -0.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7725 1.9817 1.6303 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 3.5660 -0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0702 3.9473 0.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7047 5.6417 -1.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5772 -2.9955 -0.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4195 -2.7786 -1.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8736 0.4876 1.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 -3.0252 -1.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2161 0.3267 1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9986 1.9928 -1.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 1.4043 2.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5224 4.8932 1.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6146 -2.2064 2.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4619 -3.5532 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 6.1597 -2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0321 6.2690 -0.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6807 5.5142 -0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 11 1 0 0 0 0 1 19 1 0 0 0 0 2 22 1 0 0 0 0 3 22 1 0 0 0 0 4 22 1 0 0 0 0 5 25 1 0 0 0 0 5 27 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 24 2 0 0 0 0 10 26 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 22 1 0 0 0 0 16 23 2 0 0 0 0 16 24 1 0 0 0 0 17 20 1 0 0 0 0 17 29 1 0 0 0 0 18 21 2 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 23 25 1 0 0 0 0 23 33 1 0 0 0 0 24 34 1 0 0 0 0 25 26 2 0 0 0 0 26 35 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 M END $$$$