REMARK  Name = BDB039163
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.918  -0.601  -1.526  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.979  -0.093  -0.647  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.639  -0.666  -0.699  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.594   0.105   0.067  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.921   1.244   0.840  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.930   1.942   1.544  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.593   1.536   1.523  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.280   0.409   0.755  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.900  -0.251   0.476  0.00  0.00    -0.326 N 
ATOM     10  C   LIG    1       -0.590  -1.384  -0.241  0.00  0.00    +0.117 A 
ATOM     11  N   LIG    1        0.688  -1.400  -0.556  0.00  0.00    -0.231 NA
ATOM     12  C   LIG    1        4.345   1.742   0.865  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.246  -0.308   0.058  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        5.341   0.625   0.569  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        5.658  -1.385  -2.432  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -1.494  -2.524  -0.605  0.00  0.00    +0.030 C 
ATOM     17  C   LIG    1       -1.041  -3.811  -1.356  0.00  0.00    +0.018 C 
ATOM     18  C   LIG    1       -2.561  -4.068  -1.066  0.00  0.00    -0.008 C 
ATOM     19  C   LIG    1       -2.243  -3.477   0.358  0.00  0.00    +0.018 C 
ATOM     20  C   LIG    1       -2.752  -2.566  -1.497  0.00  0.00    +0.018 C 
ENDBRANCH  10  16
BRANCH   1  22
ATOM     21  C   LIG    1        8.169  -0.631  -2.174  0.00  0.00    +0.282 C 
ATOM     22  O   LIG    1        7.174  -0.134  -1.279  0.00  0.00    -0.454 OA
ENDBRANCH   1  22
BRANCH   9  23
ATOM     23  C   LIG    1       -2.222   0.157   0.917  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.694   1.518   0.373  0.00  0.00    +0.147 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.054   1.899   0.942  0.00  0.00    -0.032 A 
ATOM     26  C   LIG    1       -5.199   1.128   0.686  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -6.435   1.490   1.225  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.543   2.626   2.023  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.417   3.403   2.282  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.180   3.044   1.744  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
BRANCH  24  31
ATOM     31  C   LIG    1       -2.676   1.604  -1.139  0.00  0.00    +0.314 C 
ATOM     32  O   LIG    1       -2.378   2.593  -1.790  0.00  0.00    -0.250 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -3.087   0.488  -1.767  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1       -3.016   0.721  -2.719  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  24  31
ENDBRANCH  23  24
ENDBRANCH   9  23
TORSDOF 7