REMARK  Name = BDB019008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.105   0.033  -2.446  0.00  0.00    -0.285 N 
ATOM      2  C   LIG    1       -0.744   0.071  -1.312  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -2.026   0.651  -1.371  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.869   0.643  -0.245  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.457   0.081   0.970  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -1.174  -0.476   1.065  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.548   1.257  -2.647  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.409   1.620  -3.579  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.353  -0.489  -0.082  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.482   0.424  -3.735  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        3.585  -0.117  -1.435  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1        2.261   0.154  -1.433  0.00  0.00    -0.217 NA
ATOM     13  C   LIG    1        1.488  -0.260  -2.464  0.00  0.00    +0.128 A 
ATOM     14  C   LIG    1        2.056  -0.976  -3.521  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1        3.421  -1.250  -3.520  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        4.202  -0.811  -2.460  0.00  0.00    +0.044 A 
BRANCH  11  21
ATOM     17  C   LIG    1        5.048   1.304   2.267  0.00  0.00    +0.129 C 
ATOM     18  N   LIG    1        5.911   0.804   1.226  0.00  0.00    -0.302 N 
ATOM     19  H   LIG    1        6.899   0.703   1.423  0.00  0.00    +0.150 HD
ATOM     20  C   LIG    1        5.563   0.293   0.008  0.00  0.00    +0.305 C 
ATOM     21  N   LIG    1        4.241   0.355  -0.299  0.00  0.00    -0.254 N 
ATOM     22  H   LIG    1        3.610   0.822   0.330  0.00  0.00    +0.158 HD
ATOM     23  O   LIG    1        6.454  -0.173  -0.695  0.00  0.00    -0.252 OA
ENDBRANCH  11  21
ENDBRANCH   1  13
BRANCH   5  24
ATOM     24  C   LIG    1       -3.380   0.112   2.085  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -3.866  -1.001   2.736  0.00  0.00    +0.116 A 
ATOM     26  N   LIG    1       -4.721  -0.537   3.693  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1       -5.478  -1.324   4.636  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1       -4.833   0.804   3.707  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1       -4.028   1.197   2.715  0.00  0.00    +0.142 A 
ENDBRANCH   5  24
BRANCH   6  30
ATOM     30  C   LIG    1       -0.648  -1.074   2.344  0.00  0.00    +0.372 C 
ATOM     31  F   LIG    1        0.716  -1.155   2.382  0.00  0.00    -0.204 F 
ATOM     32  F   LIG    1       -1.089  -2.348   2.548  0.00  0.00    -0.204 F 
ENDBRANCH   6  30
TORSDOF 4