REMARK  Name = BDB005592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.316  -0.369  -0.458  0.00  0.00    -0.032 A 
ATOM      2  C   LIG    1        1.637  -0.729   0.712  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.246  -0.595   0.788  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -0.502  -0.082  -0.283  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -1.970   0.052  -0.127  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1       -2.718   0.643  -1.144  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -2.194   1.331  -1.676  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -4.105   1.035  -0.918  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -4.808  -0.041  -0.099  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -4.049  -0.313   1.205  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -2.559  -0.390   1.003  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -1.760  -0.954   2.124  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -2.284  -1.346   3.162  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        0.185   0.260  -1.457  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1       -0.406  -1.001   1.956  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        0.117  -1.386   2.730  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        1.576   0.124  -1.540  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        3.816  -0.506  -0.558  0.00  0.00    +0.116 C 
BRANCH  18  20
ATOM     19  C   LIG    1        5.904   0.685  -0.651  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        4.455   0.808  -0.601  0.00  0.00    -0.315 NA
ATOM     21  H   LIG    1        4.185   1.333   0.231  0.00  0.00    +0.122 HD
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 2