REMARK  Name = BDB002792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.861  -2.941   1.597  0.00  0.00    +0.053 C 
ATOM      2  C   LIG    1        0.309  -1.913   0.613  0.00  0.00    +0.188 C 
ENDROOT
BRANCH   2   3
ATOM      3  O   LIG    1        1.358  -0.974   0.302  0.00  0.00    -0.457 OA
BRANCH   3   4
ATOM      4  C   LIG    1        2.151  -1.288  -0.744  0.00  0.00    +0.341 C 
ATOM      5  O   LIG    1        2.108  -2.288  -1.439  0.00  0.00    -0.245 OA
BRANCH   4   6
ATOM      6  C   LIG    1        3.049  -0.153  -1.014  0.00  0.00    +0.077 A 
ATOM      7  C   LIG    1        3.901   0.396  -0.048  0.00  0.00    +0.056 A 
ATOM      8 CL   LIG    1        4.042  -0.244   1.551  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        4.715   1.484  -0.379  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        4.681   2.009  -1.671  0.00  0.00    +0.042 A 
ATOM     11 CL   LIG    1        5.685   3.348  -2.072  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1        3.849   1.455  -2.642  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1        3.035   0.370  -2.316  0.00  0.00    +0.018 A 
ENDBRANCH   4   6
ENDBRANCH   3   4
ENDBRANCH   2   3
BRANCH   2  14
ATOM     14  C   LIG    1       -0.866  -1.136   1.247  0.00  0.00    +0.129 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -1.502  -0.205   0.272  0.00  0.00    -0.294 NA
ATOM     16  C   LIG    1       -2.848  -0.695  -0.131  0.00  0.00    +0.054 C 
ATOM     17  C   LIG    1       -2.791  -2.071  -0.816  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -3.552   0.267  -1.103  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1       -3.647   1.666  -0.525  0.00  0.00    +0.003 C 
ATOM     20  C   LIG    1       -2.255   2.153  -0.174  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1       -1.531   1.189   0.787  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1       -0.119   1.766   1.002  0.00  0.00    +0.024 C 
ENDBRANCH  14  15
ENDBRANCH   2  14
TORSDOF 5