REMARK  Name = BDB002538
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.020   1.819  -0.899  0.00  0.00    +0.295 C 
ATOM      2  O   LIG    1        2.021   2.559  -1.606  0.00  0.00    -0.380 OA
ATOM      3  N   LIG    1        3.288   2.203  -1.087  0.00  0.00    -0.088 NA
ATOM      4  C   LIG    1        3.133   1.096  -0.436  0.00  0.00    +0.091 C 
ATOM      5  C   LIG    1        1.737   0.584  -0.403  0.00  0.00    +0.116 C 
ENDROOT
BRANCH   1   7
ATOM      6  O   LIG    1       -0.138   1.711  -3.023  0.00  0.00    -0.271 OA
ATOM      7  C   LIG    1       -0.161   1.462  -1.816  0.00  0.00    +0.259 C 
ATOM      8  N   LIG    1       -1.260   0.821  -1.238  0.00  0.00    -0.298 N 
ATOM      9  C   LIG    1       -1.470   0.642   0.201  0.00  0.00    +0.113 C 
ATOM     10  C   LIG    1       -2.950   0.609   0.553  0.00  0.00    +0.084 C 
ATOM     11  C   LIG    1       -3.658  -0.535  -0.177  0.00  0.00    +0.173 C 
ATOM     12  O   LIG    1       -5.046  -0.180  -0.315  0.00  0.00    -0.346 OA
ATOM     13  C   LIG    1       -5.766  -1.338   0.103  0.00  0.00    +0.191 C 
ATOM     14  C   LIG    1       -4.869  -1.938   1.148  0.00  0.00    +0.191 C 
ATOM     15  O   LIG    1       -3.559  -1.734   0.618  0.00  0.00    -0.346 OA
ATOM     16  C   LIG    1       -3.062  -0.833  -1.557  0.00  0.00    +0.084 C 
ATOM     17  C   LIG    1       -2.346   0.385  -2.121  0.00  0.00    +0.113 C 
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1        4.252   0.383   0.221  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        5.512   0.996   0.268  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1        6.589   0.349   0.882  0.00  0.00    +0.060 A 
ATOM     21 CL   LIG    1        8.111   1.168   0.909  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1        6.412  -0.917   1.450  0.00  0.00    +0.059 A 
ATOM     23 CL   LIG    1        7.693  -1.776   2.227  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        5.156  -1.530   1.399  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        4.078  -0.885   0.786  0.00  0.00    +0.011 A 
ENDBRANCH   4  18
TORSDOF 2