REMARK  Name = BDB058550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.770  -1.754   0.144  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -2.616  -0.544   0.044  0.00  0.00    +0.093 C 
ATOM      3  C   LIG    1       -2.020   0.590  -0.831  0.00  0.00    +0.035 C 
ATOM      4  C   LIG    1       -0.494   0.650  -0.687  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        0.159  -0.712  -1.005  0.00  0.00    +0.088 C 
ATOM      6  C   LIG    1       -0.878  -1.868  -1.025  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.698   1.923  -0.560  0.00  0.00    -0.043 A 
ATOM      8  C   LIG    1       -3.532   2.492  -1.534  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -4.171   3.712  -1.302  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -3.987   4.378  -0.093  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.164   3.824   0.885  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -2.525   2.605   0.654  0.00  0.00    +0.004 A 
ENDBRANCH   3   7
BRANCH   5  13
ATOM     13  N   LIG    1        1.161  -1.020   0.019  0.00  0.00    -0.311 N 
ATOM     14  H   LIG    1        0.726  -1.329   0.880  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.385  -0.395   0.091  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        3.166  -0.615   1.244  0.00  0.00    -0.282 N 
ATOM     17  C   LIG    1        2.720  -1.516   2.291  0.00  0.00    +0.155 C 
ATOM     18  C   LIG    1        4.407   0.003   1.431  0.00  0.00    +0.279 A 
ATOM     19  O   LIG    1        5.119  -0.129   2.422  0.00  0.00    -0.265 OA
ATOM     20  C   LIG    1        4.772   0.822   0.329  0.00  0.00    +0.130 A 
ATOM     21  C   LIG    1        3.986   0.980  -0.769  0.00  0.00    +0.097 A 
ATOM     22  C   LIG    1        4.625   1.843  -1.671  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        5.824   2.199  -1.079  0.00  0.00    +0.085 A 
ATOM     24  N   LIG    1        5.902   1.569   0.144  0.00  0.00    -0.355 N 
ATOM     25  H   LIG    1        6.665   1.637   0.807  0.00  0.00    +0.166 HD
ATOM     26  N   LIG    1        2.753   0.364  -0.912  0.00  0.00    -0.214 NA
ENDBRANCH  13  15
ENDBRANCH   5  13
BRANCH   1  27
ATOM     27  C   LIG    1       -2.599  -2.948   0.340  0.00  0.00    +0.111 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -1.716  -5.304   0.279  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -1.789  -4.100   0.861  0.00  0.00    -0.019 C 
ENDBRANCH  27  29
ENDBRANCH   1  27
TORSDOF 5