REMARK  Name = BDB058285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.173   0.364  -0.488  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -1.617   0.927  -1.133  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -1.461  -0.516   0.312  0.00  0.00    +0.218 C 
ATOM      4  O   LIG    1       -1.929  -1.279   1.147  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -7.873   1.253  -0.680  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -6.393   1.008  -0.655  0.00  0.00    -0.048 A 
ATOM      7  C   LIG    1       -5.535   1.744  -1.475  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -4.140   1.534  -1.426  0.00  0.00    +0.148 A 
ATOM      9  C   LIG    1       -3.576   0.584  -0.541  0.00  0.00    +0.064 A 
ATOM     10  C   LIG    1       -4.458  -0.130   0.281  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -5.842   0.082   0.230  0.00  0.00    +0.005 A 
BRANCH   8  12
ATOM     12  N   LIG    1       -3.305   2.348  -2.328  0.00  0.00    +0.058 N 
ATOM     13  O   LIG    1       -2.080   2.144  -2.339  0.00  0.00    -0.126 OA
ATOM     14  O   LIG    1       -3.868   3.199  -3.032  0.00  0.00    -0.126 OA
ENDBRANCH   8  12
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1        0.033  -0.427   0.036  0.00  0.00    +0.111 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.826  -1.410   0.903  0.00  0.00    +0.094 C 
BRANCH  16  17
ATOM     17  N   LIG    1        2.287  -1.419   0.727  0.00  0.00    -0.297 NA
ATOM     18  C   LIG    1        2.933  -0.187   1.205  0.00  0.00    +0.119 C 
ATOM     19  C   LIG    1        4.434  -0.172   0.995  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        5.043  -1.032   0.064  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1        6.429  -0.976  -0.134  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        7.204  -0.053   0.569  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.601   0.814   1.477  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.214  -2.058  -0.667  0.00  0.00    +0.051 C 
ATOM     25  C   LIG    1        5.223   0.758   1.688  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        2.714  -1.732  -0.640  0.00  0.00    +0.089 C 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 5