REMARK  Name = BDB014840
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.401  -0.055   0.429  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.694  -0.309   1.365  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -7.095  -0.811   1.952  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.591  -0.786   2.046  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.892  -0.221   0.986  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.429  -0.133   1.161  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.755   0.148  -0.133  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.377   0.193  -0.480  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.234   0.513  -1.771  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.483   0.642  -2.248  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -2.670   0.960  -3.643  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.430   0.456  -1.294  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.903   0.527  -1.424  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.514   0.675  -0.014  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -5.024  -1.263   3.030  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        1.007  -0.083   0.313  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        1.771  -0.345   1.464  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.170  -0.373   1.421  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        3.841  -0.131   0.222  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        3.096   0.127  -0.930  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        1.697   0.154  -0.880  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.299  -0.154   0.177  0.00  0.00    +0.071 A 
ATOM     23  N   LIG    1        6.087   0.951  -0.051  0.00  0.00    -0.267 N 
ATOM     24  C   LIG    1        5.651   2.313  -0.260  0.00  0.00    +0.173 C 
ATOM     25  N   LIG    1        7.407   0.681  -0.056  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        7.462  -0.627   0.194  0.00  0.00    +0.138 A 
ATOM     27  C   LIG    1        6.185  -1.207   0.353  0.00  0.00    -0.005 A 
ATOM     28  C   LIG    1        5.874  -2.629   0.631  0.00  0.00    +0.047 C 
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 3