REMARK  Name = BDB011689
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.175  -0.634   0.284  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1       -3.524  -1.224   0.152  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -3.692  -2.401  -0.599  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -4.953  -2.984  -0.763  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -6.053  -2.388  -0.165  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -5.917  -1.232   0.594  0.00  0.00    +0.039 A 
ATOM      7  F   LIG    1       -7.265  -2.938  -0.314  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -2.505  -3.046  -1.207  0.00  0.00    +0.257 A 
ATOM      9  O   LIG    1       -2.597  -4.067  -1.879  0.00  0.00    -0.267 OA
ATOM     10  N   LIG    1       -1.294  -2.445  -0.966  0.00  0.00    -0.319 N 
ATOM     11  H   LIG    1       -0.488  -2.930  -1.343  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1       -4.655  -0.652   0.754  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -1.114  -1.290  -0.238  0.00  0.00    +0.092 A 
ENDROOT
BRANCH  13  14
ATOM     14  C   LIG    1        0.281  -0.833  -0.075  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        1.080  -0.582  -1.197  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        2.410  -0.153  -1.054  0.00  0.00    +0.039 A 
ATOM     17 BR   LIG    1        3.350   0.177  -2.678  0.00  0.00    -0.048 Br
ATOM     18  C   LIG    1        2.979   0.027   0.221  0.00  0.00    +0.044 A 
ATOM     19  C   LIG    1        2.159  -0.231   1.333  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        0.835  -0.657   1.194  0.00  0.00    +0.012 A 
BRANCH  18  21
ATOM     21  N   LIG    1        4.276   0.442   0.507  0.00  0.00    -0.329 N 
ATOM     22  C   LIG    1        5.398  -0.406   0.086  0.00  0.00    +0.105 C 
ATOM     23  C   LIG    1        6.440   0.567  -0.466  0.00  0.00    +0.020 C 
ATOM     24  C   LIG    1        6.113   1.874   0.238  0.00  0.00    +0.020 C 
ATOM     25  C   LIG    1        4.589   1.856   0.282  0.00  0.00    +0.105 C 
ENDBRANCH  18  21
ENDBRANCH  13  14
BRANCH   1  26
ATOM     26  O   LIG    1       -2.095   0.524   1.029  0.00  0.00    -0.488 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -1.774   1.691   0.256  0.00  0.00    +0.244 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.025   2.535  -0.041  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -3.687   3.037   1.166  0.00  0.00    -0.327 NA
ATOM     30  H   LIG    1       -3.020   3.551   1.740  0.00  0.00    +0.118 HD
ATOM     31  H   LIG    1       -4.418   3.697   0.904  0.00  0.00    +0.118 HD
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 6