REMARK  Name = BDB059541
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.742   0.389   1.132  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -3.265   0.461   1.267  0.00  0.00    +0.109 A 
ATOM      3  N   LIG    1       -2.353   0.117   0.285  0.00  0.00    -0.310 N 
ATOM      4  C   LIG    1       -1.097   0.329   0.806  0.00  0.00    +0.161 A 
ATOM      5  C   LIG    1       -1.313   0.785   2.095  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1       -0.197   1.088   2.876  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        1.059   0.904   2.288  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        1.162   0.431   0.971  0.00  0.00    +0.074 A 
ATOM      9  N   LIG    1        0.087   0.137   0.191  0.00  0.00    -0.227 NA
ATOM     10  N   LIG    1       -2.650   0.859   2.368  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.470   0.221   0.320  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        2.650   0.513  -1.037  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        3.889   0.313  -1.625  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        4.952  -0.151  -0.949  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1        4.782  -0.450   0.347  0.00  0.00    +0.119 A 
ATOM     16  C   LIG    1        3.578  -0.279   1.014  0.00  0.00    +0.053 A 
BRANCH  13  17
ATOM     17  N   LIG    1        4.093   0.628  -2.967  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        3.417   0.167  -3.564  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        5.048   0.363  -3.193  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
BRANCH  15  20
ATOM     20  N   LIG    1        5.902  -0.925   1.029  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        5.714  -1.812   1.481  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        6.651  -1.003   0.345  0.00  0.00    +0.144 HD
ENDBRANCH  15  20
ENDBRANCH   8  11
BRANCH   3  23
ATOM     23  C   LIG    1       -2.586  -0.357  -1.074  0.00  0.00    +0.084 C 
ATOM     24  C   LIG    1       -3.023   0.774  -2.006  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1       -3.523  -1.562  -1.160  0.00  0.00    +0.030 C 
ENDBRANCH   3  23
TORSDOF 4