REMARK  Name = BDB003986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.858   3.899  -0.729  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        2.597   2.693  -0.496  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        2.038   1.455  -0.157  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        3.076   0.527  -0.053  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1        2.819  -0.794   0.244  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        1.484  -1.166   0.454  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.425  -0.228   0.362  0.00  0.00    -0.042 A 
ATOM      8  N   LIG    1        4.283   1.200  -0.315  0.00  0.00    -0.280 N 
ATOM      9  C   LIG    1        0.716   1.111   0.047  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1        3.991   2.549  -0.618  0.00  0.00    +0.331 A 
ATOM     11  O   LIG    1        4.797   3.417  -0.916  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        5.625   0.648  -0.343  0.00  0.00    +0.178 C 
ATOM     13  C   LIG    1        5.823  -0.358  -1.493  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1        4.920  -0.837  -2.174  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        7.131  -0.651  -1.799  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        7.166  -0.993  -2.755  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        7.826  -1.591  -1.092  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        8.432  -2.470  -1.706  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        7.755  -1.613   0.416  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1        7.532  -0.267   1.087  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1        6.067   0.156   1.036  0.00  0.00    +0.035 C 
ENDBRANCH   8  12
BRANCH   7  22
ATOM     22  C   LIG    1       -1.003  -0.695   0.592  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1       -1.664   0.029   1.774  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1       -3.085  -0.479   1.995  0.00  0.00    +0.111 C 
ATOM     25  N   LIG    1       -3.883  -0.436   0.776  0.00  0.00    -0.267 N 
ATOM     26  C   LIG    1       -5.262  -0.315   0.918  0.00  0.00    +0.403 C 
ATOM     27  O   LIG    1       -5.813  -0.057   1.981  0.00  0.00    -0.226 OA
ATOM     28  C   LIG    1       -3.291  -1.027  -0.421  0.00  0.00    +0.111 C 
ATOM     29  C   LIG    1       -1.868  -0.532  -0.666  0.00  0.00    +0.027 C 
BRANCH  26  30
ATOM     30  O   LIG    1       -5.919  -0.515  -0.253  0.00  0.00    -0.445 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -7.365  -0.428  -0.329  0.00  0.00    +0.107 C 
ATOM     32  C   LIG    1       -8.035  -1.501   0.536  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -7.694  -0.713  -1.803  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1       -7.859   0.981   0.018  0.00  0.00    +0.055 C 
ENDBRANCH  30  31
ENDBRANCH  26  30
ENDBRANCH   7  22
TORSDOF 4