REMARK  Name = BDB053122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.477   2.314  -0.250  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.325   1.955  -0.399  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.855   0.791  -0.976  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.594   0.719  -0.994  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1       -0.990   2.026  -0.355  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -2.246   2.560  -0.111  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -2.324   3.814   0.505  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.159   4.518   0.863  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        0.103   3.980   0.609  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        0.153   2.739   0.002  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.173  -0.497  -0.282  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -0.865  -0.758   1.069  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.385  -1.878   1.724  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.228  -2.749   1.042  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -2.864  -4.131   1.844  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -2.558  -2.509  -0.288  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -2.035  -1.391  -0.945  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   4  18
ATOM     18  O   LIG    1       -0.977   0.766  -2.359  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1       -0.541   1.557  -2.715  0.00  0.00    +0.213 HD
ENDBRANCH   4  18
BRANCH   3  20
ATOM     20  C   LIG    1        1.715  -0.227  -1.553  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.125  -1.290  -0.566  0.00  0.00    -0.027 A 
ATOM     22  C   LIG    1        1.615  -2.588  -0.655  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        2.003  -3.522   0.294  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1        2.860  -3.259   1.303  0.00  0.00    -0.263 NA
ATOM     25  C   LIG    1        3.349  -2.002   1.367  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1        3.017  -0.999   0.471  0.00  0.00    +0.025 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 4