REMARK  Name = BDB052417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.634  -0.131   0.078  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1       -0.535   0.526   0.156  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.645  -0.226   0.100  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1       -2.929   0.447   0.153  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1       -3.243   1.724   0.510  0.00  0.00    -0.264 N 
ATOM      6  C   LIG    1       -2.347   2.773   0.935  0.00  0.00    +0.173 C 
ATOM      7  N   LIG    1       -4.568   1.973   0.462  0.00  0.00    -0.166 NA
ATOM      8  C   LIG    1       -5.133   0.818   0.061  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1       -4.131  -0.173  -0.134  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -4.180  -1.606  -0.548  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -2.949  -2.390  -0.025  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1       -1.661  -1.604  -0.039  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1       -0.419  -2.178  -0.089  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1        0.724  -1.467  -0.042  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1       -6.589   0.707  -0.127  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -7.430   1.351   0.495  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -6.997  -0.163  -1.108  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -7.975  -0.076  -1.349  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -6.359  -0.386  -1.858  0.00  0.00    +0.145 HD
ENDBRANCH   8  15
BRANCH   1  20
ATOM     20  N   LIG    1        1.762   0.681   0.131  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1        1.470   1.644   0.208  0.00  0.00    +0.155 HD
BRANCH  20  25
ATOM     22  C   LIG    1        5.956   0.102   0.001  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        5.100  -0.995  -0.071  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        3.710  -0.827  -0.030  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        3.139   0.442   0.083  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        4.014   1.538   0.155  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1        5.406   1.375   0.115  0.00  0.00    +0.047 A 
BRANCH  22  29
ATOM     28  C   LIG    1        8.198   0.888   0.023  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        7.287  -0.202  -0.050  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 4