REMARK  Name = BDB000959
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.522   0.502   0.209  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1        1.307  -0.196   0.256  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        1.218  -1.577   0.333  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1       -0.094  -1.983   0.358  0.00  0.00    -0.231 NA
ATOM      5  C   LIG    1       -0.814  -0.878   0.309  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1        2.395  -2.338   0.375  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.627  -1.673   0.347  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1        0.001   0.226   0.247  0.00  0.00    -0.340 N 
ATOM      9  H   LIG    1       -0.295   1.196   0.224  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        3.690  -0.277   0.269  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -2.298  -0.787   0.310  0.00  0.00    +0.139 C 
ATOM     12  N   LIG    1       -2.748   0.342   1.073  0.00  0.00    -0.306 N 
ATOM     13  H   LIG    1       -2.535   0.487   2.053  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1       -3.945   0.822   0.584  0.00  0.00    +0.214 C 
ATOM     15  O   LIG    1       -4.670   1.611   1.162  0.00  0.00    -0.276 OA
ATOM     16  C   LIG    1       -4.219   0.164  -0.746  0.00  0.00    +0.098 C 
ATOM     17  C   LIG    1       -2.897  -0.530  -1.064  0.00  0.00    +0.039 C 
ENDBRANCH   5  11
BRANCH   1  21
ATOM     18  N   LIG    1        3.675   2.630  -0.155  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        3.610   3.628  -0.308  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        4.502   2.163  -0.495  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1        2.503   1.984   0.118  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1        1.458   2.612   0.253  0.00  0.00    -0.270 OA
ENDBRANCH   1  21
TORSDOF 2