REMARK  Name = BDB008381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.412  -2.292   1.159  0.00  0.00    +0.056 A 
ATOM      2  C   LIG    1       -0.959  -2.023   0.926  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.907  -3.022   1.199  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1       -1.507  -4.260   1.701  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1       -0.156  -4.506   1.938  0.00  0.00    +0.043 A 
ATOM      6 CL   LIG    1        0.327  -6.037   2.559  0.00  0.00    -0.083 Cl
ATOM      7  C   LIG    1        0.805  -3.531   1.672  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   2   8
ATOM      8  N   LIG    1       -1.343  -0.724   0.492  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -2.054  -0.009   1.562  0.00  0.00    +0.105 C 
ATOM     10  C   LIG    1       -2.263   1.435   1.125  0.00  0.00    +0.024 C 
ATOM     11  C   LIG    1       -3.055   1.540  -0.193  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1       -3.218   0.177  -0.888  0.00  0.00    +0.024 C 
ATOM     13  C   LIG    1       -1.974  -0.714  -0.841  0.00  0.00    +0.105 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -2.457   2.607  -1.119  0.00  0.00    +0.159 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -1.211   2.215  -1.675  0.00  0.00    -0.395 OA
ATOM     16  H   LIG    1       -0.666   1.838  -0.959  0.00  0.00    +0.209 HD
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   2   8
BRANCH   1  19
ATOM     17  O   LIG    1        3.276  -1.948   1.845  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1        2.658  -1.177   1.119  0.00  0.00    +0.253 C 
ATOM     19  N   LIG    1        1.318  -1.267   0.819  0.00  0.00    -0.280 N 
ATOM     20  H   LIG    1        0.890  -0.494   0.311  0.00  0.00    +0.155 HD
BRANCH  18  21
ATOM     21  C   LIG    1        3.332  -0.034   0.528  0.00  0.00    +0.101 A 
ATOM     22  C   LIG    1        2.920   0.791  -0.505  0.00  0.00    +0.168 A 
ATOM     23  N   LIG    1        3.972   1.695  -0.725  0.00  0.00    -0.217 N 
ATOM     24  C   LIG    1        3.904   2.631  -1.749  0.00  0.00    +0.161 A 
ATOM     25  C   LIG    1        2.836   2.672  -2.553  0.00  0.00    +0.153 A 
ATOM     26  C   LIG    1        1.773   1.663  -2.250  0.00  0.00    +0.160 A 
ATOM     27  N   LIG    1        4.988   1.508   0.150  0.00  0.00    -0.173 NA
ATOM     28  N   LIG    1        1.784   0.799  -1.277  0.00  0.00    -0.232 NA
ATOM     29  C   LIG    1        4.609   0.455   0.874  0.00  0.00    +0.150 A 
BRANCH  25  30
ATOM     30  O   LIG    1        2.710   3.576  -3.579  0.00  0.00    -0.504 OA
ATOM     31  H   LIG    1        1.830   3.469  -3.982  0.00  0.00    +0.292 HD
ENDBRANCH  25  30
ENDBRANCH  18  21
ENDBRANCH   1  19
TORSDOF 6