REMARK  Name = BDB013380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.677  -0.347  -0.481  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -0.178   0.671  -0.949  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.545   0.667  -0.643  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.116  -0.343   0.139  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -3.569  -0.295   0.424  0.00  0.00    -0.030 A 
ATOM      6  C   LIG    1       -4.202  -1.410   1.226  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1       -5.733  -1.407   1.200  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -6.282   0.003   1.358  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -5.773   0.909   0.238  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1       -4.303   0.740  -0.040  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -3.683   1.812  -0.874  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -4.338   2.750  -1.319  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.268  -1.345   0.622  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1       -2.346   1.704  -1.126  0.00  0.00    -0.322 N 
ATOM     15  H   LIG    1       -1.952   2.438  -1.699  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1        0.103  -1.347   0.321  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        2.888  -1.665  -0.560  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1        2.192  -0.306  -0.808  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.394   0.022  -2.247  0.00  0.00    +0.074 C 
ATOM     20  N   LIG    1        2.546   0.298  -3.365  0.00  0.00    -0.196 NA
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.822   0.810   0.085  0.00  0.00    +0.061 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.330   0.951   0.048  0.00  0.00    -0.044 A 
ATOM     23  C   LIG    1        4.958   1.700  -0.959  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        6.349   1.819  -0.982  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1        7.107   2.743  -2.221  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1        7.129   1.199  -0.009  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        6.515   0.458   0.998  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.124   0.336   1.028  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4