REMARK  Name = BDB003811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.477  -2.015   1.376  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.352  -1.185   0.482  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -4.134   0.140   0.749  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -4.446   0.379   1.685  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.940   0.793   0.592  0.00  0.00    +0.225 C 
ATOM      6  O   LIG    1       -2.732   1.737   1.357  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.863   0.273  -0.382  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -0.910   1.453  -0.807  0.00  0.00    +0.017 C 
ATOM      9  C   LIG    1       -0.028   2.211   0.191  0.00  0.00    +0.020 C 
ATOM     10  C   LIG    1        1.338   1.586   0.480  0.00  0.00    +0.108 C 
ATOM     11  N   LIG    1        1.349   0.339   1.238  0.00  0.00    -0.298 N 
ATOM     12  C   LIG    1        2.372  -0.612   1.159  0.00  0.00    +0.247 C 
ATOM     13  O   LIG    1        2.340  -1.697   1.736  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        0.290   0.101   2.209  0.00  0.00    +0.108 C 
ATOM     15  C   LIG    1       -0.738  -0.914   1.727  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1       -1.090  -0.924   0.232  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1       -2.533  -0.141  -1.744  0.00  0.00    +0.016 C 
ATOM     18  C   LIG    1       -3.302  -1.459  -1.817  0.00  0.00    +0.010 C 
ATOM     19  C   LIG    1       -4.559  -1.502  -0.976  0.00  0.00    +0.096 C 
ENDROOT
BRANCH  12  20
ATOM     20  C   LIG    1        3.558  -0.322   0.328  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        4.426   0.722   0.667  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        5.549   0.967  -0.123  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.808   0.163  -1.236  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.953  -0.893  -1.557  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        3.829  -1.143  -0.770  0.00  0.00    +0.013 A 
ENDBRANCH  12  20
TORSDOF 1