REMARK  Name = BDB017551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.605   0.731  -2.695  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        2.186  -0.055  -1.480  0.00  0.00    -0.039 A 
ATOM      3  C   LIG    1        3.013  -0.275  -0.349  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        2.419  -0.888   0.775  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1        3.115  -0.972   1.985  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1        2.664  -1.348   2.807  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        4.357  -0.450   2.184  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1        5.055   0.078   0.986  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1        6.489   0.496   1.182  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1        7.051   1.249  -0.026  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1        6.641   0.556  -1.317  0.00  0.00    +0.102 C 
ATOM     12  N   LIG    1        5.188   0.431  -1.363  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1        4.878  -0.106  -2.169  0.00  0.00    +0.146 HD
ATOM     14  O   LIG    1        4.886  -0.465   3.292  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        1.110  -1.379   0.751  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        0.326  -1.240  -0.393  0.00  0.00    -0.031 A 
ATOM     17  C   LIG    1        4.453   0.108  -0.222  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1        0.869  -0.570  -1.494  0.00  0.00    +0.009 A 
ENDROOT
BRANCH  16  19
ATOM     19  C   LIG    1       -1.088  -1.779  -0.429  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.960  -1.188   0.598  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -3.259  -1.893   0.675  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1       -4.418  -1.273  -0.140  0.00  0.00    +0.123 C 
ATOM     23  N   LIG    1       -4.598   0.140   0.192  0.00  0.00    -0.297 N 
ATOM     24  C   LIG    1       -3.501   0.823   0.877  0.00  0.00    +0.123 C 
ATOM     25  C   LIG    1       -2.150   0.267   0.375  0.00  0.00    +0.103 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -5.872   0.640   0.330  0.00  0.00    +0.218 A 
ATOM     27  N   LIG    1       -6.902  -0.054  -0.194  0.00  0.00    -0.220 NA
ATOM     28  C   LIG    1       -8.142   0.468  -0.067  0.00  0.00    +0.154 A 
ATOM     29  C   LIG    1       -8.396   1.656   0.561  0.00  0.00    +0.160 A 
ATOM     30  F   LIG    1       -9.631   2.153   0.675  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1       -7.300   2.302   1.065  0.00  0.00    +0.154 A 
ATOM     32  N   LIG    1       -6.043   1.819   0.961  0.00  0.00    -0.220 NA
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  16  19
TORSDOF 3