REMARK  Name = BDB047605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.341   0.277  -0.483  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1       -0.540  -0.892  -0.324  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1        0.867  -0.711  -0.168  0.00  0.00    +0.052 A 
ATOM      4  N   LIG    1        1.858  -1.659  -0.023  0.00  0.00    -0.354 N 
ATOM      5  H   LIG    1        1.699  -2.656  -0.012  0.00  0.00    +0.166 HD
ATOM      6  C   LIG    1        3.095  -1.081   0.102  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        2.913   0.299   0.035  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        4.058   1.118   0.140  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        5.321   0.537   0.306  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.463  -0.845   0.369  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        4.350  -1.682   0.268  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        1.509   0.535  -0.138  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1        0.676   1.647  -0.273  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1        0.993   3.073  -0.275  0.00  0.00    +0.260 A 
ATOM     15  N   LIG    1       -0.185   3.727  -0.443  0.00  0.00    -0.289 N 
ATOM     16  H   LIG    1       -0.268   4.730  -0.469  0.00  0.00    +0.172 HD
ATOM     17  C   LIG    1       -1.243   2.881  -0.536  0.00  0.00    +0.260 A 
ATOM     18  O   LIG    1       -2.409   3.196  -0.663  0.00  0.00    -0.267 OA
ATOM     19  O   LIG    1        2.083   3.591  -0.149  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -0.700   1.514  -0.439  0.00  0.00    +0.056 A 
ENDROOT
BRANCH   2  21
ATOM     21  C   LIG    1       -1.140  -2.283  -0.342  0.00  0.00    +0.034 C 
ATOM     22  C   LIG    1       -1.143  -2.879  -1.742  0.00  0.00    +0.009 C 
ENDBRANCH   2  21
BRANCH   1  23
ATOM     23  C   LIG    1       -2.842   0.205  -0.666  0.00  0.00    +0.036 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -5.092   0.256   0.467  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -3.586   0.326   0.666  0.00  0.00    +0.001 C 
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 3