REMARK  Name = BDB055101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.725   2.269   1.020  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1        1.475   1.410   0.215  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1        2.658   1.775  -0.405  0.00  0.00    +0.180 A 
ATOM      4  N   LIG    1        3.178   0.744  -1.134  0.00  0.00    -0.208 NA
ATOM      5  C   LIG    1        2.343  -0.262  -0.955  0.00  0.00    +0.144 A 
ATOM      6  N   LIG    1        3.205   3.005  -0.286  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        2.494   3.843   0.506  0.00  0.00    +0.135 A 
ATOM      8  N   LIG    1        1.292   0.101  -0.153  0.00  0.00    -0.335 N 
ATOM      9  H   LIG    1        0.504  -0.474   0.123  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        1.297   3.544   1.162  0.00  0.00    +0.082 A 
ATOM     11 CL   LIG    1        0.569   4.776   2.130  0.00  0.00    -0.080 Cl
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1       -2.844   0.688   2.678  0.00  0.00    -0.294 NA
ATOM     13  C   LIG    1       -1.529   0.490   3.327  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1       -0.466   1.574   3.024  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1       -0.444   1.794   1.576  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1       -1.703   2.296   1.005  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1       -2.922   1.933   1.897  0.00  0.00    +0.103 C 
BRANCH  12  18
ATOM     18  C   LIG    1       -3.346  -0.515   1.996  0.00  0.00    +0.143 C 
BRANCH  18  23
ATOM     19  C   LIG    1       -2.285  -1.163  -2.969  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1       -2.367  -1.067  -1.501  0.00  0.00    +0.135 A 
ATOM     21  O   LIG    1       -1.292  -1.519  -0.809  0.00  0.00    -0.360 OA
ATOM     22  N   LIG    1       -1.510  -1.364   0.547  0.00  0.00    -0.082 NA
ATOM     23  C   LIG    1       -2.728  -0.811   0.660  0.00  0.00    +0.098 A 
ATOM     24  C   LIG    1       -3.313  -0.616  -0.617  0.00  0.00    +0.072 A 
ENDBRANCH  18  23
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   5  25
ATOM     25  C   LIG    1        2.540  -1.665  -1.575  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        3.579  -2.020  -2.401  0.00  0.00    +0.119 A 
ATOM     27  N   LIG    1        3.372  -3.328  -2.716  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        4.197  -4.158  -3.559  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        2.263  -3.849  -2.151  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        1.764  -2.829  -1.444  0.00  0.00    +0.145 A 
ENDBRANCH   5  25
TORSDOF 4