REMARK  Name = BDB054694
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.161  -0.486  -1.544  0.00  0.00    +0.035 A 
ATOM      2  N   LIG    1       -3.778   0.185  -0.392  0.00  0.00    -0.325 N 
ATOM      3  C   LIG    1       -2.433  -0.045  -0.162  0.00  0.00    +0.146 A 
ATOM      4  C   LIG    1       -1.942  -0.821  -1.193  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -0.592  -1.134  -1.135  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.154  -0.690  -0.100  0.00  0.00    -0.222 NA
ATOM      7  C   LIG    1       -0.428   0.047   0.869  0.00  0.00    +0.221 A 
ATOM      8  N   LIG    1       -1.723   0.409   0.887  0.00  0.00    -0.196 NA
ATOM      9  C   LIG    1       -3.023  -1.096  -2.058  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1       -4.587   0.995   0.506  0.00  0.00    +0.089 C 
ATOM     11  C   LIG    1       -5.587   0.196   1.352  0.00  0.00    +0.025 C 
ATOM     12  C   LIG    1       -6.663   1.217   1.693  0.00  0.00    +0.002 C 
ATOM     13  C   LIG    1       -6.804   2.023   0.412  0.00  0.00    +0.002 C 
ATOM     14  C   LIG    1       -5.381   2.151  -0.130  0.00  0.00    +0.025 C 
ENDBRANCH   2  10
BRANCH   7  15
ATOM     15  N   LIG    1        0.312   0.507   1.963  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1       -0.323   1.033   2.550  0.00  0.00    +0.155 HD
BRANCH  15  17
ATOM     17  C   LIG    1        1.600   0.343   2.315  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1        2.152   0.891   3.448  0.00  0.00    +0.109 A 
ATOM     19  N   LIG    1        3.468   0.504   3.506  0.00  0.00    -0.344 N 
ATOM     20  C   LIG    1        4.377   0.866   4.573  0.00  0.00    +0.149 C 
ATOM     21  C   LIG    1        3.795  -0.251   2.395  0.00  0.00    +0.106 A 
ATOM     22  C   LIG    1        2.618  -0.386   1.667  0.00  0.00    +0.055 A 
BRANCH  21  23
ATOM     23  C   LIG    1        5.108  -0.826   2.150  0.00  0.00    +0.263 C 
ATOM     24  N   LIG    1        5.551  -0.923   0.832  0.00  0.00    -0.294 N 
ATOM     25  C   LIG    1        5.039  -0.121  -0.287  0.00  0.00    +0.123 C 
ATOM     26  C   LIG    1        6.160   0.312  -1.256  0.00  0.00    +0.103 C 
ATOM     27  N   LIG    1        7.022  -0.775  -1.764  0.00  0.00    -0.302 NA
ATOM     28  C   LIG    1        6.741  -1.095  -3.161  0.00  0.00    +0.105 C 
ATOM     29  C   LIG    1        6.958  -1.985  -0.920  0.00  0.00    +0.103 C 
ATOM     30  C   LIG    1        6.784  -1.667   0.574  0.00  0.00    +0.123 C 
ATOM     31  O   LIG    1        5.816  -1.220   3.076  0.00  0.00    -0.268 OA
ENDBRANCH  21  23
ENDBRANCH  15  17
ENDBRANCH   7  15
BRANCH   1  32
ATOM     32  C   LIG    1       -5.544  -0.540  -2.107  0.00  0.00    +0.134 C 
BRANCH  32  34
ATOM     33  C   LIG    1       -6.954   0.312  -3.854  0.00  0.00    +0.101 C 
ATOM     34  N   LIG    1       -5.638   0.378  -3.238  0.00  0.00    -0.314 NA
ATOM     35  H   LIG    1       -4.929   0.127  -3.925  0.00  0.00    +0.122 HD
ENDBRANCH  32  34
ENDBRANCH   1  32
TORSDOF 6