REMARK  Name = BDB014811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.395   0.356  -0.013  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.764   1.131  -0.547  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -5.327   1.897  -2.115  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.861   1.140  -0.925  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.931   0.509  -0.106  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.483   0.796  -0.192  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.692  -0.249   0.508  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.288  -0.462   0.600  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.030  -1.536   1.354  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.231  -2.011   1.725  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -2.293  -3.197   2.544  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.257  -1.257   1.259  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.712  -1.447   1.466  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.428  -0.121   1.136  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -7.074   1.091  -0.721  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        1.017   0.332  -0.067  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        1.806  -0.639   0.553  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.205  -0.609   0.465  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.867   0.400  -0.247  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1        3.079   1.378  -0.868  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.681   1.343  -0.779  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.335   0.430  -0.339  0.00  0.00    -0.015 A 
ATOM     23  C   LIG    1        6.054  -0.695  -0.778  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        7.444  -0.657  -0.864  0.00  0.00    +0.159 A 
ATOM     25  F   LIG    1        8.105  -1.743  -1.288  0.00  0.00    -0.202 F 
ATOM     26  C   LIG    1        8.140   0.493  -0.516  0.00  0.00    +0.158 A 
ATOM     27  F   LIG    1        9.477   0.525  -0.599  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1        7.456   1.619  -0.078  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        6.060   1.587   0.009  0.00  0.00    +0.011 A 
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 3