REMARK  Name = BDB038492
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.331  -2.030   0.367  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1        0.172  -1.249   0.342  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -0.958  -1.697  -0.340  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -0.969  -2.905  -0.936  0.00  0.00    -0.240 NA
ATOM      5  C   LIG    1        0.156  -3.647  -0.918  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1        1.324  -3.254  -0.295  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.104  -0.881  -0.437  0.00  0.00    -0.248 N 
ATOM      8  C   LIG    1       -3.306  -1.262  -1.028  0.00  0.00    +0.253 C 
ATOM      9  O   LIG    1       -3.692  -2.320  -1.489  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -4.173  -0.075  -1.006  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -5.468   0.056  -1.474  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -6.079   1.302  -1.340  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.389   2.376  -0.746  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -4.073   2.228  -0.267  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -3.479   0.977  -0.415  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1       -2.112   0.511  -0.026  0.00  0.00    +0.151 C 
BRANCH  14  17
ATOM     17  C   LIG    1       -3.329   3.380   0.352  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1       -2.659   3.022   1.483  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -4.134   4.418   0.711  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -2.392   3.902  -0.485  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  22
ATOM     21  C   LIG    1        3.287  -0.402   0.932  0.00  0.00    +0.064 A 
ATOM     22  C   LIG    1        2.532  -1.562   1.066  0.00  0.00    +0.079 A 
ATOM     23  N   LIG    1        3.149  -2.265   2.082  0.00  0.00    -0.266 N 
ATOM     24  C   LIG    1        2.714  -3.501   2.695  0.00  0.00    +0.173 C 
ATOM     25  N   LIG    1        4.269  -1.678   2.546  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        4.342  -0.544   1.852  0.00  0.00    +0.146 A 
BRANCH  21  29
ATOM     27  C   LIG    1        4.963   2.327   0.389  0.00  0.00    +0.152 C 
ATOM     28  N   LIG    1        3.729   1.934  -0.232  0.00  0.00    -0.316 N 
ATOM     29  C   LIG    1        3.002   0.786  -0.045  0.00  0.00    +0.167 A 
ATOM     30  N   LIG    1        1.951   0.841  -0.842  0.00  0.00    -0.129 NA
ATOM     31  N   LIG    1        1.974   2.028  -1.528  0.00  0.00    -0.138 NA
ATOM     32  C   LIG    1        3.053   2.671  -1.157  0.00  0.00    +0.225 A 
ENDBRANCH  21  29
ENDBRANCH   1  22
TORSDOF 4