REMARK  Name = BDB050075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.379   0.261  -0.219  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1        1.018   0.168   0.092  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        0.482  -1.032   0.581  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1        1.343  -2.127   0.761  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        2.702  -2.031   0.451  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        3.223  -0.837  -0.040  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.937  -1.156   0.926  0.00  0.00    +0.093 A 
ATOM      8  N   LIG    1       -1.998  -0.608   0.224  0.00  0.00    -0.211 N 
ATOM      9  C   LIG    1       -3.161  -0.988   0.880  0.00  0.00    +0.155 A 
ATOM     10  C   LIG    1       -4.389  -0.549   0.340  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -4.386   0.197  -0.770  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1       -3.065   0.522  -1.370  0.00  0.00    +0.150 A 
ATOM     13 CL   LIG    1       -3.018   1.486  -2.803  0.00  0.00    -0.060 Cl
ATOM     14  N   LIG    1       -2.908  -1.727   1.936  0.00  0.00    -0.234 NA
ATOM     15  N   LIG    1       -1.913   0.150  -0.912  0.00  0.00    -0.153 NA
ATOM     16  C   LIG    1       -1.544  -1.839   1.968  0.00  0.00    +0.141 A 
ENDBRANCH   3   7
BRANCH   1  18
ATOM     17  N   LIG    1        4.152   1.711  -1.026  0.00  0.00    -0.095 NA
ATOM     18  C   LIG    1        2.900   1.541  -0.735  0.00  0.00    +0.160 C 
BRANCH  17  19
ATOM     19  O   LIG    1        4.335   3.020  -1.487  0.00  0.00    -0.409 OA
ATOM     20  H   LIG    1        5.290   3.041  -1.680  0.00  0.00    +0.328 HD
ENDBRANCH  17  19
ENDBRANCH   1  18
TORSDOF 3