REMARK  Name = BDB011630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.639   0.323  -0.407  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1        1.629   1.126   0.128  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        1.284   1.982   0.549  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.814  -0.626  -1.160  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.980   0.947   0.038  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        3.717  -0.321  -0.262  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1        3.242  -1.444  -0.285  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1        5.079   0.014  -0.363  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1        5.231   1.367   0.066  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1        6.238   2.148  -0.656  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1        3.937   1.867   0.261  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        3.729   3.300   0.642  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1        6.103  -0.990  -0.059  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        7.095  -1.153  -1.219  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        8.129  -2.237  -0.922  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        8.845  -1.987   0.403  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        7.858  -1.846   1.558  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        6.819  -0.760   1.282  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1       -2.192  -1.055  -1.141  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1       -1.975   0.207  -0.388  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -2.930   1.071   0.145  0.00  0.00    +0.167 A 
ATOM     22  O   LIG    1       -2.241   2.071   0.793  0.00  0.00    -0.354 OA
ATOM     23  N   LIG    1       -0.885   1.908   0.664  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1       -0.713   0.788  -0.054  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -4.367   1.034   0.083  0.00  0.00    -0.006 C 
ATOM     26  C   LIG    1       -5.147   0.578  -1.137  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -6.590   1.090  -1.171  0.00  0.00    +0.036 C 
ATOM     28  C   LIG    1       -7.295   0.839   0.163  0.00  0.00    +0.123 C 
ATOM     29  C   LIG    1       -6.528   1.528   1.303  0.00  0.00    +0.059 C 
ATOM     30  C   LIG    1       -5.029   1.477   1.174  0.00  0.00    -0.017 C 
BRANCH  28  31
ATOM     31  O   LIG    1       -7.342  -0.568   0.441  0.00  0.00    -0.374 OA
BRANCH  31  32
ATOM     32  C   LIG    1       -8.448  -1.256  -0.148  0.00  0.00    +0.112 C 
ATOM     33  C   LIG    1       -8.026  -2.707  -0.337  0.00  0.00    +0.037 C 
ATOM     34  C   LIG    1       -9.659  -1.169   0.776  0.00  0.00    +0.037 C 
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 6