REMARK  Name = BDB011678
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.347   0.308   0.745  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1       -3.620   0.317   1.496  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -3.617  -0.036   2.858  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -4.798  -0.055   3.606  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -5.991   0.288   2.987  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -6.024   0.652   1.645  0.00  0.00    +0.039 A 
ATOM      7  F   LIG    1       -7.129   0.275   3.692  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -2.332  -0.375   3.514  0.00  0.00    +0.257 A 
ATOM      9  O   LIG    1       -2.275  -0.698   4.695  0.00  0.00    -0.267 OA
ATOM     10  N   LIG    1       -1.206  -0.299   2.730  0.00  0.00    -0.319 N 
ATOM     11  H   LIG    1       -0.332  -0.489   3.207  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1       -4.841   0.669   0.901  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -1.194   0.040   1.396  0.00  0.00    +0.092 A 
ENDROOT
BRANCH  13  14
ATOM     14  C   LIG    1        0.126   0.073   0.736  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        0.578   1.220   0.079  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        1.834   1.240  -0.548  0.00  0.00    +0.039 A 
ATOM     17 BR   LIG    1        2.254   2.833  -1.511  0.00  0.00    -0.048 Br
ATOM     18  C   LIG    1        2.694   0.117  -0.526  0.00  0.00    +0.044 A 
ATOM     19  C   LIG    1        2.211  -1.026   0.135  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        0.956  -1.050   0.758  0.00  0.00    +0.012 A 
BRANCH  18  21
ATOM     21  N   LIG    1        3.956   0.125  -1.122  0.00  0.00    -0.325 N 
ATOM     22  C   LIG    1        4.531  -1.115  -1.674  0.00  0.00    +0.133 C 
ATOM     23  C   LIG    1        5.893  -0.800  -2.312  0.00  0.00    +0.178 C 
ATOM     24  O   LIG    1        6.862  -0.319  -1.366  0.00  0.00    -0.377 OA
ATOM     25  C   LIG    1        6.270   0.342  -0.236  0.00  0.00    +0.178 C 
ATOM     26  C   LIG    1        4.953   1.068  -0.560  0.00  0.00    +0.133 C 
ENDBRANCH  18  21
ENDBRANCH  13  14
BRANCH   1  27
ATOM     27  O   LIG    1       -2.413   0.665  -0.588  0.00  0.00    -0.488 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -2.456  -0.492  -1.440  0.00  0.00    +0.244 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.408  -0.028  -2.902  0.00  0.00    +0.119 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -3.550   0.817  -3.267  0.00  0.00    -0.327 NA
ATOM     31  H   LIG    1       -4.419   0.320  -3.081  0.00  0.00    +0.118 HD
ATOM     32  H   LIG    1       -3.555   1.627  -2.642  0.00  0.00    +0.118 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 6