REMARK  Name = BDB040078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.388  -1.150  -0.485  0.00  0.00    -0.032 A 
ATOM      2  C   LIG    1        0.079  -0.608  -0.474  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -0.885  -0.929   0.501  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -0.516  -1.833   1.499  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.762  -2.390   1.525  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.696  -2.052   0.548  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.181  -0.345   0.460  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1       -3.216  -0.546   1.379  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1       -3.268  -1.211   2.397  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -4.363   0.245   0.914  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -4.002   0.901  -0.256  0.00  0.00    -0.004 A 
ATOM     12  C   LIG    1       -4.916   1.717  -0.894  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -6.194   1.862  -0.341  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -6.542   1.190   0.845  0.00  0.00    +0.002 A 
ATOM     15 BR   LIG    1       -4.474   2.631  -2.485  0.00  0.00    -0.050 Br
ATOM     16  C   LIG    1       -5.617   0.367   1.488  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -2.594   0.562  -0.605  0.00  0.00    +0.151 C 
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  C   LIG    1        2.469  -0.729  -1.596  0.00  0.00    +0.080 C 
ATOM     19  C   LIG    1        3.409  -1.822  -2.170  0.00  0.00    +0.177 C 
ATOM     20  O   LIG    1        3.155  -1.367  -3.526  0.00  0.00    -0.378 OA
ATOM     21  C   LIG    1        1.979  -0.658  -3.064  0.00  0.00    +0.177 C 
BRANCH  18  22
ATOM     22  C   LIG    1        3.212   0.560  -1.214  0.00  0.00    +0.248 C 
ATOM     23  F   LIG    1        2.289   1.572  -1.173  0.00  0.00    -0.236 F 
BRANCH  22  26
ATOM     24  C   LIG    1        2.534   1.971   1.510  0.00  0.00    +0.151 C 
ATOM     25  N   LIG    1        3.619   1.061   1.256  0.00  0.00    -0.318 N 
ATOM     26  C   LIG    1        3.948   0.440   0.078  0.00  0.00    +0.168 A 
ATOM     27  N   LIG    1        5.014  -0.310   0.289  0.00  0.00    -0.132 NA
ATOM     28  N   LIG    1        5.374  -0.189   1.607  0.00  0.00    -0.138 NA
ATOM     29  C   LIG    1        4.529   0.638   2.175  0.00  0.00    +0.224 A 
ENDBRANCH  22  26
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 4