REMARK  Name = BDB055913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.904  -1.389  -0.183  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   5
ATOM      2  N   LIG    1       -2.739   0.568   0.433  0.00  0.00    -0.325 N 
ATOM      3  C   LIG    1       -1.767   0.724   1.535  0.00  0.00    +0.120 C 
ATOM      4  C   LIG    1       -0.354   0.329   1.050  0.00  0.00    +0.103 C 
ATOM      5  N   LIG    1       -0.252  -1.091   0.664  0.00  0.00    -0.299 NA
ATOM      6  C   LIG    1       -1.536  -1.645   0.195  0.00  0.00    +0.103 C 
ATOM      7  C   LIG    1       -2.527  -0.625  -0.418  0.00  0.00    +0.120 C 
BRANCH   2   9
ATOM      8  C   LIG    1       -4.896  -0.145   1.481  0.00  0.00    +0.141 A 
ATOM      9  C   LIG    1       -4.060   0.804   0.860  0.00  0.00    +0.072 A 
ATOM     10  C   LIG    1       -4.562   2.104   0.685  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -5.859   2.444   1.075  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -6.684   1.483   1.651  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -6.207   0.188   1.849  0.00  0.00    +0.047 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -4.490  -1.809   3.054  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -4.429  -1.422   1.682  0.00  0.00    -0.493 OA
ENDBRANCH   8  15
ENDBRANCH   2   9
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1        0.813  -0.909  -1.642  0.00  0.00    +0.023 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.068  -1.263  -2.443  0.00  0.00    +0.075 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.271  -0.473  -1.986  0.00  0.00    +0.110 A 
ATOM     19  N   LIG    1        3.286   0.852  -2.326  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        2.538   1.262  -2.866  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1        4.299   1.707  -1.973  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1        4.292   2.890  -2.292  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        5.391   1.108  -1.189  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1        5.292  -0.253  -0.884  0.00  0.00    +0.078 A 
ATOM     25  C   LIG    1        6.313  -0.846  -0.140  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        7.410  -0.092   0.289  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        7.495   1.266  -0.023  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.483   1.873  -0.765  0.00  0.00    +0.015 A 
ATOM     29  N   LIG    1        4.205  -1.043  -1.297  0.00  0.00    -0.234 NA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6