REMARK  Name = BDB056904
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.526  -1.024  -0.098  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.870  -0.721   0.270  0.00  0.00    +0.065 A 
ATOM      3  C   LIG    1        3.704  -1.772   0.667  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        5.136  -1.621   0.963  0.00  0.00    +0.196 A 
ATOM      5  C   LIG    1        5.615  -0.560   1.850  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        5.243   0.769   1.721  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        4.372   1.302   0.659  0.00  0.00    +0.257 A 
ATOM      8  O   LIG    1        4.537   2.468   0.297  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1        5.784   1.712   2.619  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        6.671   1.326   3.627  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        7.045  -0.007   3.742  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        6.525  -0.946   2.852  0.00  0.00    +0.012 A 
ATOM     13  O   LIG    1        5.928  -2.474   0.570  0.00  0.00    -0.287 OA
ATOM     14  C   LIG    1        3.222  -3.092   0.724  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        1.905  -3.383   0.399  0.00  0.00    +0.002 A 
ATOM     16  N   LIG    1        3.316   0.608   0.139  0.00  0.00    -0.321 N 
ATOM     17  H   LIG    1        2.709   1.247  -0.381  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1        1.065  -2.355  -0.012  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  21
ATOM     19  C   LIG    1       -1.287   0.835  -1.215  0.00  0.00    +0.242 A 
ATOM     20  O   LIG    1       -0.697  -0.350  -0.803  0.00  0.00    -0.416 OA
ATOM     21  C   LIG    1        0.599   0.013  -0.561  0.00  0.00    +0.251 A 
ATOM     22  N   LIG    1        0.810   1.289  -0.798  0.00  0.00    -0.107 NA
ATOM     23  N   LIG    1       -0.392   1.812  -1.214  0.00  0.00    -0.108 NA
BRANCH  19  25
ATOM     24  C   LIG    1       -3.488  -0.093  -1.565  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1       -2.653   0.957  -1.582  0.00  0.00    +0.070 C 
BRANCH  24  27
ATOM     26  C   LIG    1       -5.808   0.919  -1.349  0.00  0.00    +0.127 A 
ATOM     27  C   LIG    1       -4.906   0.013  -1.951  0.00  0.00    +0.018 A 
ATOM     28  C   LIG    1       -5.365  -0.864  -2.946  0.00  0.00    +0.031 A 
ATOM     29  C   LIG    1       -6.696  -0.827  -3.353  0.00  0.00    +0.042 A 
ATOM     30 CL   LIG    1       -7.246  -1.901  -4.578  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1       -7.585   0.073  -2.774  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1       -7.142   0.943  -1.773  0.00  0.00    +0.047 A 
BRANCH  26  34
ATOM     33  C   LIG    1       -6.180   2.648   0.262  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -5.299   1.720  -0.358  0.00  0.00    -0.495 OA
ENDBRANCH  26  34
ENDBRANCH  24  27
ENDBRANCH  19  25
ENDBRANCH   1  21
TORSDOF 4