REMARK  Name = BDB062122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.185  -1.427   1.015  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1        1.378  -1.403   0.301  0.00  0.00    +0.076 A 
ATOM      3  N   LIG    1        1.985  -2.594   0.643  0.00  0.00    -0.333 N 
ATOM      4  C   LIG    1        3.283  -3.060   0.217  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1        1.170  -3.256   1.517  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1        0.080  -2.573   1.772  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.469   0.084  -0.115  0.00  0.00    +0.130 A 
ATOM      8  C   LIG    1       -0.827  -0.388   1.039  0.00  0.00    +0.044 A 
ATOM      9  C   LIG    1       -1.180   0.167   2.277  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.113   1.205   2.353  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -2.715   1.712   1.193  0.00  0.00    -0.030 A 
ATOM     12  C   LIG    1       -2.384   1.141  -0.042  0.00  0.00    +0.051 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -1.991  -1.607  -1.575  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -1.213  -0.428  -1.364  0.00  0.00    -0.494 OA
ENDBRANCH   7  14
BRANCH  11  15
ATOM     15  C   LIG    1       -3.704   2.846   1.277  0.00  0.00    +0.113 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -4.905   2.452   2.002  0.00  0.00    -0.326 NA
ATOM     17  H   LIG    1       -5.595   3.198   1.936  0.00  0.00    +0.119 HD
ATOM     18  H   LIG    1       -5.314   1.639   1.543  0.00  0.00    +0.119 HD
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   1   8
BRANCH   2  19
ATOM     19  C   LIG    1        1.965  -0.389  -0.568  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        2.296   0.871  -0.053  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        2.847   1.852  -0.881  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        3.068   1.583  -2.235  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1        2.736   0.328  -2.756  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1        2.186  -0.652  -1.925  0.00  0.00    +0.011 A 
BRANCH  22  25
ATOM     25  C   LIG    1        3.629   2.590  -3.087  0.00  0.00    +0.099 C 
ATOM     26  N   LIG    1        4.089   3.401  -3.778  0.00  0.00    -0.191 NA
ENDBRANCH  22  25
ENDBRANCH   2  19
TORSDOF 6