REMARK  Name = BDB028258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.970  -1.093   0.120  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -1.686  -0.313   1.041  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.823   0.398   0.633  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.242   0.322  -0.693  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.434   1.074  -1.114  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -5.059   1.812  -0.139  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.884   2.337  -0.411  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.677   1.907   1.163  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.835   1.037  -2.272  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.540  -0.461  -1.616  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.623   1.246   1.552  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -1.409  -1.168  -1.208  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  20
ATOM     13  C   LIG    1        3.308  -0.833  -1.185  0.00  0.00    +0.137 A 
ATOM     14  C   LIG    1        1.998  -0.804  -0.897  0.00  0.00    +0.138 A 
ATOM     15  N   LIG    1        1.494  -1.679   0.067  0.00  0.00    -0.296 N 
ATOM     16  C   LIG    1        2.297  -2.592   0.753  0.00  0.00    +0.138 A 
ATOM     17  N   LIG    1        1.609  -3.272   1.643  0.00  0.00    -0.235 NA
ATOM     18  C   LIG    1        0.324  -2.812   1.531  0.00  0.00    +0.139 A 
ATOM     19  C   LIG    1        3.677  -2.648   0.403  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1        0.206  -1.837   0.556  0.00  0.00    +0.073 A 
ATOM     21  C   LIG    1        4.165  -1.812  -0.534  0.00  0.00    +0.051 A 
BRANCH  13  22
ATOM     22  O   LIG    1        3.872  -0.040  -2.153  0.00  0.00    -0.491 OA
BRANCH  22  24
ATOM     23  C   LIG    1        5.096   1.933  -2.711  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1        4.603   1.050  -1.580  0.00  0.00    +0.226 C 
ENDBRANCH  22  24
ENDBRANCH  13  22
ENDBRANCH   1  20
BRANCH  11  25
ATOM     25  C   LIG    1       -3.185   1.347   3.017  0.00  0.00    +0.136 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.088   2.218   3.779  0.00  0.00    -0.325 NA
ATOM     27  H   LIG    1       -4.130   3.118   3.293  0.00  0.00    +0.119 HD
ATOM     28  H   LIG    1       -5.037   1.854   3.665  0.00  0.00    +0.119 HD
ENDBRANCH  25  26
ENDBRANCH  11  25
TORSDOF 5