REMARK  Name = BDB051075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.193   0.298   1.868  0.00  0.00    -0.490 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -3.360  -0.587  -0.146  0.00  0.00    -0.046 A 
ATOM      3  C   LIG    1       -2.992  -1.229   1.042  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -1.793  -0.898   1.679  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -0.945   0.073   1.144  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.306   0.715  -0.040  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.506   0.386  -0.680  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1       -4.657  -0.931  -0.837  0.00  0.00    +0.049 C 
BRANCH   8  10
ATOM      9  C   LIG    1       -6.256   0.237   0.773  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1       -5.742   0.139  -0.663  0.00  0.00    +0.099 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -6.885  -0.196  -1.590  0.00  0.00    +0.308 C 
ATOM     12  O   LIG    1       -7.875  -0.859  -1.330  0.00  0.00    -0.251 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -6.708   0.307  -2.828  0.00  0.00    -0.480 OA
ATOM     14  H   LIG    1       -7.505   0.017  -3.320  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  15
ATOM     15  C   LIG    1        1.100   1.288   1.368  0.00  0.00    +0.248 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.309   1.383   2.312  0.00  0.00    +0.150 C 
BRANCH  16  17
ATOM     17  N   LIG    1        3.244   0.260   2.162  0.00  0.00    -0.285 N 
ATOM     18  C   LIG    1        2.849  -1.018   2.731  0.00  0.00    +0.134 C 
BRANCH  17  19
ATOM     19  C   LIG    1        4.056   0.268   1.078  0.00  0.00    +0.291 A 
ATOM     20  O   LIG    1        4.755  -0.879   0.801  0.00  0.00    -0.424 OA
ATOM     21  C   LIG    1        5.468  -0.574  -0.318  0.00  0.00    +0.157 A 
ATOM     22  C   LIG    1        5.170   0.732  -0.664  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1        5.783   1.290  -1.793  0.00  0.00    +0.031 A 
ATOM     24  C   LIG    1        6.676   0.492  -2.524  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        6.950  -0.827  -2.138  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        6.345  -1.399  -1.012  0.00  0.00    +0.048 A 
ATOM     27  N   LIG    1        4.271   1.254   0.228  0.00  0.00    -0.195 NA
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 9