REMARK  Name = BDB055939
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.245   1.090  -0.282  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1       -1.615   0.871   0.003  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -2.384   2.035   0.171  0.00  0.00    +0.143 A 
ATOM      4  N   LIG    1       -3.760   1.946   0.335  0.00  0.00    -0.306 N 
ATOM      5  H   LIG    1       -4.264   2.818   0.405  0.00  0.00    +0.170 HD
ATOM      6  C   LIG    1       -4.478   0.786   0.323  0.00  0.00    +0.258 A 
ATOM      7  C   LIG    1       -3.709  -0.480   0.243  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -4.421  -1.688   0.337  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -3.740  -2.899   0.352  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.352  -2.898   0.295  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -1.647  -1.690   0.197  0.00  0.00    +0.009 A 
ATOM     12  O   LIG    1       -5.702   0.790   0.395  0.00  0.00    -0.267 OA
ATOM     13  N   LIG    1       -1.919   3.303   0.140  0.00  0.00    -0.237 NA
ATOM     14  C   LIG    1       -0.611   3.462  -0.107  0.00  0.00    +0.115 A 
ATOM     15  C   LIG    1       -2.302  -0.445   0.131  0.00  0.00    -0.000 A 
ATOM     16  C   LIG    1        0.245   2.407  -0.343  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   1  17
ATOM     17  N   LIG    1        0.613   0.028  -0.686  0.00  0.00    -0.314 N 
ATOM     18  H   LIG    1        0.376  -0.240  -1.641  0.00  0.00    +0.152 HD
BRANCH  17  22
ATOM     19  C   LIG    1        4.766  -0.469   0.036  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        3.960   0.178   0.972  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        2.594   0.370   0.731  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        2.000  -0.100  -0.446  0.00  0.00    +0.031 A 
ATOM     23  C   LIG    1        2.793  -0.834  -1.335  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        4.159  -1.022  -1.091  0.00  0.00    +0.024 A 
BRANCH  19  25
ATOM     25  N   LIG    1        6.100  -0.762   0.335  0.00  0.00    -0.358 N 
ATOM     26  H   LIG    1        6.534  -0.103   0.974  0.00  0.00    +0.142 HD
ATOM     27  H   LIG    1        6.676  -0.943  -0.481  0.00  0.00    +0.142 HD
ENDBRANCH  19  25
ENDBRANCH  17  22
ENDBRANCH   1  17
TORSDOF 3