REMARK  Name = BDB031527
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.019   0.783   3.212  0.00  0.00    -0.288 NA
ATOM      2  C   LIG    1       -0.908   0.852   2.058  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1       -1.912   1.980   2.204  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1       -1.392  -0.583   2.458  0.00  0.00    +0.204 C 
ATOM      5  C   LIG    1        0.011  -0.689   3.124  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        1.328   1.414   3.016  0.00  0.00    +0.121 C 
BRANCH   6  16
ATOM      7  C   LIG    1        5.170  -0.508  -1.888  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        5.388  -1.437  -0.729  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1        6.174  -2.377  -0.788  0.00  0.00    -0.268 OA
ATOM     10  N   LIG    1        4.667  -1.192   0.412  0.00  0.00    -0.321 N 
ATOM     11  H   LIG    1        4.829  -1.827   1.181  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1        3.750  -0.141   0.527  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1        3.538   0.717  -0.549  0.00  0.00    +0.088 A 
ATOM     14  N   LIG    1        2.678   1.756  -0.519  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1        1.998   1.938   0.636  0.00  0.00    +0.116 A 
ATOM     16  C   LIG    1        2.123   1.127   1.767  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1        3.038   0.068   1.702  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        4.281   0.496  -1.784  0.00  0.00    +0.038 A 
BRANCH   7  20
ATOM     19  C   LIG    1        7.388  -0.301  -3.051  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        5.947  -0.783  -3.146  0.00  0.00    +0.037 C 
ENDBRANCH   7  20
ENDBRANCH   6  16
ENDBRANCH   1   6
BRANCH   4  21
ATOM     21  O   LIG    1       -1.633  -1.527   1.387  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.725  -1.312   0.592  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1       -3.964  -0.903   1.066  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1       -5.013  -0.741   0.163  0.00  0.00    +0.157 A 
ATOM     25  F   LIG    1       -6.204  -0.345   0.637  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1       -4.803  -1.000  -1.188  0.00  0.00    +0.161 A 
ATOM     27  N   LIG    1       -3.596  -1.419  -1.663  0.00  0.00    -0.244 NA
ATOM     28  C   LIG    1       -2.595  -1.572  -0.766  0.00  0.00    +0.157 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -5.890  -0.840  -2.218  0.00  0.00    +0.265 C 
ATOM     30  N   LIG    1       -7.128  -0.391  -1.785  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1       -7.307  -0.279  -0.794  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1       -8.241  -0.291  -2.695  0.00  0.00    +0.128 C 
ATOM     33  O   LIG    1       -5.680  -1.103  -3.400  0.00  0.00    -0.268 OA
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 6