REMARK  Name = BDB038859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1       -0.957   2.684  -0.225  0.00  0.00    +0.149 A 
ATOM      2  N   LIG    1        0.299   2.201  -0.401  0.00  0.00    -0.238 NA
ATOM      3  C   LIG    1        0.534   0.869  -0.290  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1       -0.555   0.027  -0.032  0.00  0.00    +0.074 A 
ATOM      5  N   LIG    1       -0.636  -1.345   0.073  0.00  0.00    -0.352 N 
ATOM      6  H   LIG    1        0.141  -1.980  -0.043  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -1.920  -1.750   0.349  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -2.707  -0.602   0.401  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.086  -0.742   0.663  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -4.621  -2.019   0.867  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.806  -3.147   0.809  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.438  -3.035   0.548  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -1.850   0.515   0.149  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -2.065   1.898   0.058  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   3  15
ATOM     15  C   LIG    1        1.917   0.417  -0.472  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        2.520  -0.504   0.401  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1        3.848  -0.910   0.197  0.00  0.00    +0.127 A 
ATOM     18  C   LIG    1        4.603  -0.401  -0.865  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        4.021   0.527  -1.724  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        2.697   0.930  -1.526  0.00  0.00    +0.010 A 
BRANCH  17  21
ATOM     21  N   LIG    1        4.449  -1.889   1.108  0.00  0.00    +0.056 N 
ATOM     22  O   LIG    1        5.678  -2.036   1.071  0.00  0.00    -0.126 OA
ATOM     23  O   LIG    1        3.684  -2.522   1.851  0.00  0.00    -0.126 OA
ENDBRANCH  17  21
ENDBRANCH   3  15
BRANCH   1  25
ATOM     24  O   LIG    1       -2.213   4.748  -0.201  0.00  0.00    -0.243 OA
ATOM     25  C   LIG    1       -1.155   4.159  -0.347  0.00  0.00    +0.355 C 
BRANCH  25  26
ATOM     26  OXT LIG    1       -0.026   4.830  -0.650  0.00  0.00    -0.476 OA
ATOM     27  HXT LIG    1       -0.299   5.768  -0.692  0.00  0.00    +0.295 HD
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 4