REMARK  Name = BDB037078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.376  -0.250  -0.359  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        1.487   0.282  -1.283  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        1.726   0.672  -2.409  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.167   0.289  -0.645  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.314  -0.168   0.663  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -0.785  -0.256   1.501  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -2.041   0.129   1.000  0.00  0.00    -0.005 A 
ATOM      8  C   LIG    1       -3.255   0.034   1.885  0.00  0.00    +0.043 C 
ATOM      9  C   LIG    1       -4.420   0.844   1.329  0.00  0.00    +0.055 C 
ATOM     10  C   LIG    1       -4.562   0.549  -0.163  0.00  0.00    +0.136 C 
ATOM     11  C   LIG    1       -5.142  -0.841  -0.555  0.00  0.00    +0.130 C 
ATOM     12  N   LIG    1       -6.493  -0.247  -0.634  0.00  0.00    -0.308 NA
ATOM     13  H   LIG    1       -7.037  -0.355   0.222  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1       -5.881   1.091  -0.778  0.00  0.00    +0.130 C 
ATOM     15  O   LIG    1       -3.364   0.957  -0.875  0.00  0.00    -0.483 OA
ATOM     16  C   LIG    1       -2.160   0.570  -0.337  0.00  0.00    +0.125 A 
ATOM     17  C   LIG    1       -1.050   0.668  -1.173  0.00  0.00    +0.059 A 
ATOM     18  C   LIG    1        1.748  -0.481   0.936  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  25
ATOM     19  O   LIG    1        7.754  -0.082   0.658  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        6.614  -0.106   0.203  0.00  0.00    +0.219 C 
ATOM     21  N   LIG    1        5.827   1.017   0.203  0.00  0.00    -0.255 N 
ATOM     22  H   LIG    1        6.233   1.813   0.678  0.00  0.00    +0.158 HD
ATOM     23  C   LIG    1        4.452   1.029   0.140  0.00  0.00    +0.240 C 
ATOM     24  O   LIG    1        3.818   1.960   0.631  0.00  0.00    -0.273 OA
ATOM     25  C   LIG    1        3.819  -0.189  -0.555  0.00  0.00    +0.163 C 
ATOM     26  C   LIG    1        4.526  -1.454  -0.078  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1        6.010  -1.354  -0.398  0.00  0.00    +0.098 C 
ENDBRANCH   1  25
TORSDOF 1