REMARK  Name = BDB007820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.507   0.309  -0.002  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1       -0.170   0.460   0.115  0.00  0.00    -0.196 NA
ATOM      3  C   LIG    1        0.586  -0.643   0.285  0.00  0.00    +0.239 A 
ATOM      4  O   LIG    1        1.920  -0.397   0.479  0.00  0.00    -0.462 OA
ATOM      5  C   LIG    1        2.757  -1.506   0.143  0.00  0.00    +0.265 C 
ATOM      6  C   LIG    1        2.252  -2.884   0.616  0.00  0.00    +0.258 C 
ATOM      7  N   LIG    1        0.886  -3.027   0.577  0.00  0.00    -0.278 N 
ATOM      8  H   LIG    1        0.509  -3.945   0.775  0.00  0.00    +0.155 HD
ATOM      9  O   LIG    1        2.971  -3.832   0.916  0.00  0.00    -0.271 OA
ATOM     10  C   LIG    1        0.060  -1.926   0.353  0.00  0.00    +0.096 A 
ATOM     11  C   LIG    1       -1.311  -2.078   0.230  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1       -2.106  -0.943   0.039  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -3.430   1.977  -0.250  0.00  0.00    +0.235 C 
ATOM     14  N   LIG    1       -2.151   1.527  -0.188  0.00  0.00    -0.269 N 
ATOM     15  H   LIG    1       -1.481   2.283  -0.277  0.00  0.00    +0.156 HD
ATOM     16  O   LIG    1       -3.593   3.175  -0.526  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1       -4.653   1.067  -0.024  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1       -5.065   0.482  -1.375  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1       -6.985   1.192   0.766  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1       -5.712   1.873   0.623  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1       -5.823   2.746   0.099  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   5  22
ATOM     22  C   LIG    1        4.164  -1.239   0.704  0.00  0.00    +0.089 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.925  -0.216  -0.113  0.00  0.00    -0.043 A 
ATOM     24  C   LIG    1        4.693   1.155   0.063  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        5.383   2.094  -0.704  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.311   1.672  -1.655  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.548   0.312  -1.840  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.857  -0.629  -1.075  0.00  0.00    +0.004 A 
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 5