REMARK  Name = BDB048113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.633  -2.376   0.756  0.00  0.00    -0.476 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.776  -1.866   0.173  0.00  0.00    +0.215 A 
ATOM      3  N   LIG    1        1.765  -0.629  -0.363  0.00  0.00    -0.221 NA
ATOM      4  C   LIG    1        2.924  -0.193  -0.907  0.00  0.00    +0.118 A 
ATOM      5  C   LIG    1        4.100  -0.938  -0.947  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1        4.071  -2.212  -0.375  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        2.893  -2.684   0.196  0.00  0.00    +0.067 A 
BRANCH   5   8
ATOM      8  C   LIG    1        5.359  -0.391  -1.578  0.00  0.00    +0.083 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.066   0.710  -0.762  0.00  0.00    +0.169 C 
ATOM     10  O   LIG    1        5.242   1.890  -0.744  0.00  0.00    -0.362 OA
ATOM     11  C   LIG    1        6.060   3.047  -0.961  0.00  0.00    +0.161 C 
ATOM     12  C   LIG    1        7.499   2.583  -0.979  0.00  0.00    +0.031 C 
ATOM     13  C   LIG    1        7.365   1.153  -1.442  0.00  0.00    +0.049 C 
BRANCH   9  14
ATOM     14  C   LIG    1        6.415   0.157   0.635  0.00  0.00    +0.337 C 
ATOM     15  O   LIG    1        6.995  -0.895   0.864  0.00  0.00    -0.248 OA
BRANCH  14  16
ATOM     16  O   LIG    1        6.061   0.966   1.654  0.00  0.00    -0.479 OA
ATOM     17  H   LIG    1        6.305   0.470   2.461  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -0.498  -1.507   0.630  0.00  0.00    +0.237 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.681  -2.171   1.328  0.00  0.00    +0.100 C 
BRANCH  19  24
ATOM     20  C   LIG    1       -4.791  -0.622   0.602  0.00  0.00    +0.228 A 
ATOM     21  O   LIG    1       -4.497   0.161   1.689  0.00  0.00    -0.440 OA
ATOM     22  C   LIG    1       -3.288  -0.301   2.124  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1       -2.706   0.365   3.301  0.00  0.00    +0.088 C 
ATOM     24  C   LIG    1       -2.904  -1.332   1.293  0.00  0.00    +0.086 A 
ATOM     25  N   LIG    1       -3.869  -1.527   0.330  0.00  0.00    -0.214 NA
BRANCH  20  29
ATOM     26  C   LIG    1       -9.077   1.962   0.150  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -8.135   0.903  -0.340  0.00  0.00    -0.050 A 
ATOM     28  C   LIG    1       -6.932   0.655   0.339  0.00  0.00    +0.016 A 
ATOM     29  C   LIG    1       -6.051  -0.353  -0.087  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1       -6.405  -1.120  -1.206  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1       -7.606  -0.891  -1.880  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -8.469   0.113  -1.445  0.00  0.00    +0.003 A 
ENDBRANCH  20  29
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9