REMARK  Name = BDB047094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.793   0.140   0.108  0.00  0.00    -0.311 NA
ATOM      2  H   LIG    1        1.965   0.521  -0.823  0.00  0.00    +0.122 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.358  -0.081   0.293  0.00  0.00    +0.081 C 
BRANCH   3   4
ATOM      4  C   LIG    1       -0.322  -0.699  -0.934  0.00  0.00    +0.016 C 
BRANCH   4   5
ATOM      5  C   LIG    1       -1.822  -0.947  -0.730  0.00  0.00    +0.017 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -2.634   0.347  -0.562  0.00  0.00    +0.084 C 
BRANCH   6   7
ATOM      7  N   LIG    1       -4.092   0.136  -0.598  0.00  0.00    -0.303 NA
BRANCH   7   9
ATOM      8  C   LIG    1       -4.714   2.202  -1.861  0.00  0.00    +0.020 C 
ATOM      9  C   LIG    1       -4.833   1.409  -0.563  0.00  0.00    +0.081 C 
ENDBRANCH   7   9
BRANCH   7  10
ATOM     10  C   LIG    1       -4.592  -0.799   0.425  0.00  0.00    +0.081 C 
ATOM     11  C   LIG    1       -4.334  -0.413   1.879  0.00  0.00    +0.020 C 
ENDBRANCH   7  10
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1  12
ATOM     12  C   LIG    1        2.575  -1.096   0.242  0.00  0.00    +0.136 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.061  -0.831   0.085  0.00  0.00    +0.056 A 
ATOM     14  N   LIG    1        4.675  -1.334  -1.016  0.00  0.00    -0.259 NA
ATOM     15  C   LIG    1        5.995  -1.088  -1.172  0.00  0.00    +0.112 A 
ATOM     16  C   LIG    1        6.748  -0.353  -0.278  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        6.098   0.161   0.839  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        4.740  -0.073   1.035  0.00  0.00    +0.035 A 
BRANCH  17  19
ATOM     19  C   LIG    1        6.844   0.964   1.825  0.00  0.00    +0.258 C 
ATOM     20  O   LIG    1        8.042   1.187   1.704  0.00  0.00    -0.296 OA
ENDBRANCH  17  19
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 10