REMARK  Name = BDB008524
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.209   0.285   1.145  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        1.299  -0.338   0.664  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        2.508   0.169   0.966  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        2.651   1.272   1.776  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        1.489   1.843   2.226  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        0.270   1.376   1.918  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -1.003  -0.289   0.770  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1       -0.816  -1.105   0.208  0.00  0.00    +0.155 HD
BRANCH   7  11
ATOM      9  C   LIG    1       -4.716  -0.619   0.688  0.00  0.00    -0.042 A 
ATOM     10  C   LIG    1       -3.337  -0.818   0.471  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -2.343  -0.021   1.070  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -2.764   1.009   1.912  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -4.120   1.221   2.164  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -5.082   0.410   1.564  0.00  0.00    +0.004 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -6.831  -0.984  -0.890  0.00  0.00    +0.083 C 
ATOM     16  C   LIG    1       -5.752  -1.512   0.041  0.00  0.00    +0.032 C 
ATOM     17  C   LIG    1       -5.678  -1.775  -1.446  0.00  0.00    +0.022 C 
BRANCH  15  21
ATOM     18  N   LIG    1       -6.467   1.010  -2.220  0.00  0.00    -0.329 N 
ATOM     19  H   LIG    1       -6.542   2.011  -2.335  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -5.852   0.496  -2.831  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1       -7.027   0.469  -1.105  0.00  0.00    +0.214 C 
ATOM     22  O   LIG    1       -7.704   1.131  -0.331  0.00  0.00    -0.276 OA
ENDBRANCH  15  21
ENDBRANCH   9  16
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  23
ATOM     23  N   LIG    1        3.607  -0.531   0.456  0.00  0.00    -0.299 N 
ATOM     24  H   LIG    1        3.260  -1.339  -0.055  0.00  0.00    +0.154 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.851  -0.084  -0.025  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        5.881  -1.026  -0.174  0.00  0.00    +0.035 A 
ATOM     27  C   LIG    1        7.160  -0.655  -0.624  0.00  0.00    +0.057 A 
ATOM     28  C   LIG    1        7.401   0.686  -0.945  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        6.388   1.633  -0.804  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        5.126   1.249  -0.345  0.00  0.00    +0.023 A 
BRANCH  27  31
ATOM     31  C   LIG    1        8.239  -1.695  -0.790  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        9.498  -1.181  -0.713  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        8.165  -2.327  -1.994  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        8.181  -2.678   0.152  0.00  0.00    -0.166 F 
ENDBRANCH  27  31
ENDBRANCH  23  25
ENDBRANCH   3  23
TORSDOF 7