REMARK  Name = BDB040411
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.487   1.735   0.898  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.889   1.232   1.110  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -2.949   1.705   0.337  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -4.257   1.222   0.518  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -5.428   1.891  -0.563  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -4.552   0.247   1.493  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.454  -0.244   2.242  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -3.620  -1.501   3.427  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -2.152   0.241   2.054  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -5.950  -0.314   1.767  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -7.102   0.677   1.682  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -7.155   1.688   2.380  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -8.094   0.406   0.771  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -8.841   1.086   0.730  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -8.029  -0.448  -0.301  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -8.876  -0.414  -1.189  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -6.829  -1.359  -0.370  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -6.250  -1.614   1.010  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.617   0.984  -0.108  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        0.252   0.833   0.046  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -0.267   0.318  -0.651  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.232   1.839   0.527  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        2.284   0.039  -1.155  0.00  0.00    +0.066 C 
ATOM     24  C   LIG    1        1.806  -1.417  -0.957  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1        1.800   0.506  -2.547  0.00  0.00    +0.025 C 
BRANCH  23  30
ATOM     26  N   LIG    1        6.595   0.062  -0.508  0.00  0.00    -0.315 N 
ATOM     27  C   LIG    1        6.153   0.465  -1.764  0.00  0.00    +0.252 A 
ATOM     28  O   LIG    1        6.883   0.796  -2.695  0.00  0.00    -0.268 OA
ATOM     29  C   LIG    1        4.676   0.471  -1.965  0.00  0.00    +0.075 A 
ATOM     30  C   LIG    1        3.821   0.081  -1.000  0.00  0.00    -0.026 A 
ATOM     31  C   LIG    1        4.393  -0.335   0.276  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1        5.715  -0.333   0.480  0.00  0.00    +0.089 A 
BRANCH  26  34
ATOM     33  C   LIG    1        8.641  -1.315  -0.640  0.00  0.00    +0.027 C 
ATOM     34  C   LIG    1        8.031   0.023  -0.249  0.00  0.00    +0.121 C 
ENDBRANCH  26  34
ENDBRANCH  23  30
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 6