REMARK  Name = BDB042556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.436  -0.691  -1.331  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.121   0.002  -0.362  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.802  -0.428   0.581  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1       -1.576   0.471   1.444  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -2.968   0.750   0.833  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1       -3.671  -0.524   0.517  0.00  0.00    -0.327 N 
ATOM      7  C   LIG    1       -2.861  -1.460  -0.309  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1       -1.488  -1.703   0.346  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -5.026  -0.357   0.182  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -5.902   0.233   1.107  0.00  0.00    +0.061 A 
ATOM     11  C   LIG    1       -7.253   0.404   0.812  0.00  0.00    +0.125 A 
ATOM     12  F   LIG    1       -8.057   0.973   1.721  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -7.780  -0.009  -0.401  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1       -6.940  -0.610  -1.330  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -5.580  -0.785  -1.037  0.00  0.00    +0.023 A 
ENDBRANCH   6   9
BRANCH   2  16
ATOM     16  C   LIG    1        0.742   1.373  -0.139  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.888   1.684  -1.108  0.00  0.00    +0.062 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.172   0.961  -0.772  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1        3.212  -0.392  -1.025  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        2.381  -0.854  -1.402  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        4.294  -1.213  -0.795  0.00  0.00    +0.257 A 
ATOM     22  O   LIG    1        4.270  -2.415  -1.029  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        5.503  -0.558  -0.240  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        5.470   0.824   0.013  0.00  0.00    -0.011 A 
ATOM     25  C   LIG    1        6.607   1.451   0.536  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        7.756   0.701   0.801  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        7.766  -0.667   0.544  0.00  0.00    +0.124 A 
ATOM     28  F   LIG    1        8.873  -1.374   0.803  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        6.650  -1.309   0.025  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1        4.252   1.586  -0.275  0.00  0.00    +0.030 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4