REMARK  Name = BDB017652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.393   1.829  -0.565  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.019   1.361  -0.281  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1        1.726   0.605  -1.225  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        3.034   0.190  -0.956  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        3.669   0.501   0.256  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        5.050   0.011   0.483  0.00  0.00    +0.045 A 
ATOM      7  N   LIG    1        5.663   0.231   1.715  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1        5.003   0.281   2.486  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1        6.897  -0.462   2.068  0.00  0.00    +0.102 C 
ATOM     10  C   LIG    1        7.817  -0.507   0.853  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1        7.103  -1.142  -0.345  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        5.688  -0.651  -0.503  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1        5.015  -0.955  -1.794  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        5.582  -1.569  -2.694  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        2.964   1.282   1.183  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1        3.723  -0.536  -1.933  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        3.287  -0.753  -2.817  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1        1.656   1.704   0.919  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  24
ATOM     19  C   LIG    1       -2.666  -2.108  -0.553  0.00  0.00    +0.029 C 
ATOM     20  C   LIG    1       -2.450  -0.600  -0.668  0.00  0.00    +0.084 C 
ATOM     21  N   LIG    1       -3.698   0.175  -0.911  0.00  0.00    -0.322 N 
ATOM     22  C   LIG    1       -3.488   1.641  -0.923  0.00  0.00    +0.121 C 
ATOM     23  C   LIG    1       -2.656   2.112   0.293  0.00  0.00    +0.103 C 
ATOM     24  N   LIG    1       -1.355   1.428   0.474  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -1.596  -0.037   0.503  0.00  0.00    +0.107 C 
BRANCH  21  26
ATOM     26  C   LIG    1       -4.938  -0.192  -0.385  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1       -5.184  -0.604   0.934  0.00  0.00    +0.146 A 
ATOM     28  F   LIG    1       -4.192  -0.664   1.831  0.00  0.00    -0.204 F 
ATOM     29  C   LIG    1       -6.463  -0.943   1.379  0.00  0.00    +0.059 A 
ATOM     30  C   LIG    1       -7.546  -0.870   0.505  0.00  0.00    +0.055 A 
ATOM     31  C   LIG    1       -7.338  -0.454  -0.811  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1       -6.050  -0.117  -1.242  0.00  0.00    +0.027 A 
BRANCH  30  33
ATOM     33  C   LIG    1       -8.862  -1.216   0.955  0.00  0.00    +0.099 C 
ATOM     34  N   LIG    1       -9.928  -1.494   1.319  0.00  0.00    -0.191 NA
ENDBRANCH  30  33
ENDBRANCH  21  26
ENDBRANCH   1  24
TORSDOF 4