REMARK  Name = BDB038563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.590   1.485   0.688  0.00  0.00    -0.038 A 
ATOM      2  C   LIG    1        0.485   0.641   0.482  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1       -0.757   1.172   0.141  0.00  0.00    +0.130 A 
ATOM      4  N   LIG    1       -0.941   2.503   0.012  0.00  0.00    -0.220 NA
ATOM      5  C   LIG    1        0.129   3.299   0.205  0.00  0.00    +0.132 A 
ATOM      6 CL   LIG    1       -0.190   4.972   0.000  0.00  0.00    -0.062 Cl
ATOM      7  C   LIG    1        1.399   2.856   0.529  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1       -1.878   0.353  -0.089  0.00  0.00    -0.248 N 
ATOM      9  C   LIG    1       -1.931  -1.033  -0.091  0.00  0.00    +0.253 C 
ATOM     10  O   LIG    1       -1.060  -1.865   0.087  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -3.325  -1.396  -0.383  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1       -3.888  -2.655  -0.484  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -5.250  -2.728  -0.775  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -6.008  -1.555  -0.957  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -5.422  -0.279  -0.852  0.00  0.00    +0.060 A 
ATOM     16  C   LIG    1       -4.061  -0.227  -0.560  0.00  0.00    -0.006 A 
ATOM     17  C   LIG    1       -3.165   0.961  -0.390  0.00  0.00    +0.151 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -6.224   0.980  -1.046  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1       -5.746   1.742  -2.066  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -6.206   1.776   0.057  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -7.536   0.754  -1.327  0.00  0.00    -0.166 F 
ENDBRANCH  15  18
ENDBRANCH   3   8
BRANCH   1  23
ATOM     22  C   LIG    1        3.752   1.699   2.023  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1        2.939   0.865   1.024  0.00  0.00    +0.023 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.722   0.596  -0.277  0.00  0.00    +0.084 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.822  -0.388  -0.078  0.00  0.00    +0.134 A 
ATOM     26  N   LIG    1        4.695  -1.749  -0.190  0.00  0.00    -0.320 N 
ATOM     27  C   LIG    1        3.512  -2.497  -0.520  0.00  0.00    +0.151 C 
ATOM     28  C   LIG    1        5.924  -2.267   0.076  0.00  0.00    +0.224 A 
ATOM     29  N   LIG    1        6.763  -1.292   0.335  0.00  0.00    -0.138 NA
ATOM     30  N   LIG    1        6.071  -0.109   0.235  0.00  0.00    -0.135 NA
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 5