REMARK  Name = BDB050607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.611   1.300  -1.566  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1        1.256   1.203  -1.880  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        0.320   1.884  -1.098  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        0.738   2.702  -0.042  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        2.097   2.814   0.252  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.035   2.116  -0.511  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.113   1.774  -1.449  0.00  0.00    +0.247 C 
ATOM      8  N   LIG    1       -2.024   1.398  -0.461  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -3.442   1.399  -0.814  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -4.337   1.526   0.414  0.00  0.00    +0.027 C 
ATOM     11  C   LIG    1       -4.056   0.440   1.473  0.00  0.00    +0.022 C 
ATOM     12  C   LIG    1       -2.692  -0.244   1.271  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -1.643   0.756   0.800  0.00  0.00    +0.108 C 
ATOM     14  O   LIG    1       -1.438   2.024  -2.608  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1       -5.171  -0.589   1.580  0.00  0.00    -0.044 A 
ATOM     16  C   LIG    1       -5.577  -1.353   0.472  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1       -6.601  -2.295   0.596  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -7.220  -2.478   1.825  0.00  0.00    +0.123 A 
ATOM     19  F   LIG    1       -8.201  -3.382   1.942  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -6.835  -1.738   2.935  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1       -5.811  -0.796   2.814  0.00  0.00    +0.007 A 
ENDBRANCH  11  15
ENDBRANCH   3   7
BRANCH   1  22
ATOM     22  O   LIG    1        3.490   0.627  -2.384  0.00  0.00    -0.456 OA
BRANCH  22  26
ATOM     23  C   LIG    1        6.631  -1.535  -0.694  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        6.852  -0.651  -1.758  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1        5.784   0.065  -2.305  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        4.500  -0.083  -1.777  0.00  0.00    +0.128 A 
ATOM     27  C   LIG    1        4.270  -0.971  -0.725  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1        5.337  -1.686  -0.176  0.00  0.00    +0.016 A 
BRANCH  23  32
ATOM     29  N   LIG    1        8.848  -2.548  -0.829  0.00  0.00    -0.325 N 
ATOM     30  H   LIG    1        9.520  -3.192  -0.431  0.00  0.00    +0.145 HD
ATOM     31  H   LIG    1        8.842  -2.454  -1.835  0.00  0.00    +0.145 HD
ATOM     32  C   LIG    1        7.732  -2.317  -0.073  0.00  0.00    +0.242 C 
ATOM     33  O   LIG    1        7.639  -2.770   1.061  0.00  0.00    -0.270 OA
ENDBRANCH  23  32
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 5