REMARK  Name = BDB056736
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.348  -0.566   0.346  0.00  0.00    +0.149 A 
ATOM      2  N   LIG    1        0.462   0.049  -0.588  0.00  0.00    -0.313 N 
ATOM      3  C   LIG    1        0.070   1.031  -1.567  0.00  0.00    +0.152 C 
ATOM      4  C   LIG    1        1.728  -0.447  -0.439  0.00  0.00    +0.164 A 
ATOM      5  C   LIG    1        1.632  -1.355   0.607  0.00  0.00    +0.109 A 
ATOM      6  C   LIG    1        2.791  -2.039   0.990  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1        3.961  -1.751   0.284  0.00  0.00    +0.070 A 
ATOM      8  C   LIG    1        3.925  -0.799  -0.738  0.00  0.00    +0.222 A 
ATOM      9  N   LIG    1        2.825  -0.125  -1.153  0.00  0.00    -0.193 NA
ATOM     10  N   LIG    1        0.351  -1.410   1.090  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -1.809  -0.283   0.499  0.00  0.00    +0.303 C 
BRANCH  11  12
ATOM     12  O   LIG    1       -2.419  -0.499  -0.773  0.00  0.00    -0.484 OA
BRANCH  12  15
ATOM     13  C   LIG    1       -5.975   0.338  -0.073  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1       -4.607   0.131   0.170  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -3.763  -0.267  -0.870  0.00  0.00    +0.122 A 
ATOM     16  C   LIG    1       -4.292  -0.461  -2.149  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -5.649  -0.258  -2.398  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -6.490   0.142  -1.362  0.00  0.00    +0.015 A 
BRANCH  13  19
ATOM     19  C   LIG    1       -6.919   0.763   0.997  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1       -8.112   0.946   0.810  0.00  0.00    -0.245 OA
BRANCH  19  22
ATOM     21  C   LIG    1       -7.115   1.319   3.256  0.00  0.00    +0.280 C 
ATOM     22  O   LIG    1       -6.269   0.916   2.178  0.00  0.00    -0.464 OA
ENDBRANCH  19  22
ENDBRANCH  13  19
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   8  23
ATOM     23  O   LIG    1        5.077  -0.544  -1.460  0.00  0.00    -0.438 OA
BRANCH  23  24
ATOM     24  C   LIG    1        6.095   0.081  -0.774  0.00  0.00    +0.130 A 
ATOM     25  C   LIG    1        5.885   1.137   0.118  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        6.974   1.732   0.756  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.269   1.285   0.494  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        8.479   0.247  -0.414  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.393  -0.350  -1.054  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 7