REMARK  Name = BDB001858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.698   0.286  -0.605  0.00  0.00    -0.308 N 
ATOM      2  C   LIG    1        0.466  -0.379  -0.683  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1       -0.517   0.476  -0.259  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1       -1.875   0.173  -0.192  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -2.234  -1.127  -0.646  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.212  -2.034  -1.028  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -2.687   1.219   0.322  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -2.125   2.459   0.712  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.747   2.695   0.610  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.036   1.672   0.117  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        0.144  -1.660  -1.070  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        1.496   1.566  -0.094  0.00  0.00    +0.260 A 
ATOM     13  O   LIG    1        2.308   2.436   0.153  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   5  14
ATOM     14  N   LIG    1       -3.552  -1.604  -0.524  0.00  0.00    -0.357 N 
ATOM     15  H   LIG    1       -3.761  -2.387  -1.136  0.00  0.00    +0.142 HD
ATOM     16  H   LIG    1       -4.255  -0.876  -0.587  0.00  0.00    +0.142 HD
ENDBRANCH   5  14
BRANCH   1  18
ATOM     17  C   LIG    1        3.559  -1.030   0.310  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1        2.985  -0.297  -0.891  0.00  0.00    +0.122 C 
ENDBRANCH   1  18
TORSDOF 2