REMARK  Name = BDB017553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.552  -1.372   2.095  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.188  -0.970   0.689  0.00  0.00    -0.039 A 
ATOM      3  C   LIG    1       -3.010  -0.187  -0.158  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -2.597  -0.038  -1.500  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1       -3.444   0.565  -2.436  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -3.178   0.616  -3.409  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -4.702   1.002  -2.151  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1       -5.107   0.978  -0.725  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -6.432   1.617  -0.399  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -6.882   1.337   1.036  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -5.713   1.498   1.998  0.00  0.00    +0.102 C 
ATOM     12  N   LIG    1       -4.615   0.635   1.576  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -3.782   0.774   2.143  0.00  0.00    +0.146 HD
ATOM     14  O   LIG    1       -5.439   1.436  -3.032  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -1.370  -0.526  -1.963  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -0.514  -1.209  -1.101  0.00  0.00    -0.031 A 
ATOM     17  C   LIG    1       -4.294   0.476   0.228  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1       -0.944  -1.442   0.211  0.00  0.00    +0.009 A 
ENDROOT
BRANCH  16  19
ATOM     19  C   LIG    1        0.810  -1.753  -1.595  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.937  -1.438  -0.705  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        2.289   0.007  -0.713  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        3.609   0.345  -1.439  0.00  0.00    +0.122 C 
ATOM     23  N   LIG    1        4.745  -0.389  -0.848  0.00  0.00    -0.310 N 
ATOM     24  C   LIG    1        4.428  -1.769  -0.415  0.00  0.00    +0.122 C 
ATOM     25  C   LIG    1        3.109  -2.275  -1.044  0.00  0.00    +0.103 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.527   0.332   0.075  0.00  0.00    +0.157 A 
ATOM     27  C   LIG    1        6.680  -0.226   0.656  0.00  0.00    +0.163 A 
ATOM     28  F   LIG    1        7.083  -1.471   0.357  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1        7.447   0.507   1.557  0.00  0.00    +0.043 A 
ATOM     30  C   LIG    1        7.065   1.802   1.871  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1        5.930   2.302   1.262  0.00  0.00    +0.113 A 
ATOM     32  N   LIG    1        5.170   1.605   0.384  0.00  0.00    -0.237 NA
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  16  19
TORSDOF 3