REMARK  Name = BDB058354
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.520  -0.797  -0.822  0.00  0.00    -0.236 N 
ATOM      2  C   LIG    1       -1.605  -1.826  -0.919  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1       -2.424  -2.915  -1.226  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -1.872  -4.188  -1.325  0.00  0.00    +0.143 A 
ATOM      5  N   LIG    1       -0.544  -4.378  -1.134  0.00  0.00    -0.253 NA
ATOM      6  C   LIG    1        0.255  -3.330  -0.884  0.00  0.00    +0.073 A 
ATOM      7  C   LIG    1        1.609  -3.577  -0.729  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1        2.529  -2.549  -0.493  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        2.112  -1.217  -0.419  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1        0.742  -0.948  -0.567  0.00  0.00    +0.020 A 
ATOM     11  N   LIG    1       -3.712  -2.507  -1.403  0.00  0.00    -0.128 NA
ATOM     12  C   LIG    1       -0.195  -1.990  -0.777  0.00  0.00    +0.028 A 
ATOM     13  N   LIG    1       -3.753  -1.201  -1.207  0.00  0.00    -0.064 NA
ENDROOT
BRANCH   9  14
ATOM     14  C   LIG    1        3.078  -0.133  -0.196  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.923  -0.129   0.926  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1        4.817   0.942   1.090  0.00  0.00    +0.019 A 
ATOM     17  C   LIG    1        4.806   1.938   0.120  0.00  0.00    +0.138 A 
ATOM     18  N   LIG    1        5.740   2.874   0.467  0.00  0.00    -0.346 N 
ATOM     19  H   LIG    1        5.931   3.702  -0.078  0.00  0.00    +0.167 HD
ATOM     20  C   LIG    1        6.353   2.508   1.639  0.00  0.00    +0.085 A 
ATOM     21  N   LIG    1        4.032   2.004  -0.977  0.00  0.00    -0.237 NA
ATOM     22  C   LIG    1        5.799   1.312   2.049  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1        3.193   0.942  -1.086  0.00  0.00    +0.121 A 
ENDBRANCH   9  14
BRANCH   1  25
ATOM     24  C   LIG    1       -2.242   1.525  -1.607  0.00  0.00    +0.038 C 
ATOM     25  C   LIG    1       -2.333   0.592  -0.398  0.00  0.00    +0.136 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.358   1.013   0.651  0.00  0.00    -0.023 A 
ATOM     27  C   LIG    1       -4.618   1.530   0.306  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -5.532   1.904   1.294  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.205   1.762   2.640  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.966   1.240   3.002  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.051   0.864   2.016  0.00  0.00    +0.006 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 3