REMARK  Name = BDB040391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.958   0.068   1.604  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1        1.879   1.120   1.574  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.982   1.098   0.704  0.00  0.00    +0.045 A 
ATOM      4 CL   LIG    1        4.041   2.456   0.811  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        3.182   0.019  -0.174  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        2.244  -1.036  -0.127  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.150  -1.011   0.740  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        4.330  -0.143  -1.165  0.00  0.00    +0.107 C 
ATOM      9  C   LIG    1        4.782   1.119  -1.881  0.00  0.00    +0.227 C 
ATOM     10  O   LIG    1        4.039   1.764  -2.620  0.00  0.00    -0.275 OA
ATOM     11  N   LIG    1        6.075   1.532  -1.662  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1        6.347   2.381  -2.138  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1        6.933   1.115  -0.675  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1        7.982   1.713  -0.456  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        6.485  -0.057   0.162  0.00  0.00    +0.097 C 
ATOM     16  C   LIG    1        5.514  -0.939  -0.602  0.00  0.00    +0.027 C 
ENDBRANCH   5   8
BRANCH   1  17
ATOM     17  C   LIG    1       -0.245   0.117   2.510  0.00  0.00    +0.139 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.320  -0.245   1.220  0.00  0.00    +0.223 C 
ATOM     19  N   LIG    1       -1.399   0.613   1.792  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.363   1.575   1.487  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -2.244  -1.462   1.382  0.00  0.00    -0.275 OA
BRANCH  18  23
ATOM     22  C   LIG    1       -4.031   1.641   1.068  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -3.407   0.432   0.332  0.00  0.00    +0.066 C 
ATOM     24  C   LIG    1       -2.683   0.970  -0.924  0.00  0.00    +0.025 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -4.546  -0.560   0.004  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.299  -1.129   1.051  0.00  0.00    +0.043 A 
ATOM     27  C   LIG    1       -6.340  -2.016   0.785  0.00  0.00    +0.124 A 
ATOM     28  F   LIG    1       -7.037  -2.537   1.804  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -6.666  -2.366  -0.516  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1       -5.936  -1.823  -1.567  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -4.887  -0.931  -1.311  0.00  0.00    +0.005 A 
ENDBRANCH  23  25
ENDBRANCH  18  23
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5