REMARK  Name = BDB047300
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.273  -0.149  -0.777  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1        0.042   0.461   0.472  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1        1.004   0.377   1.496  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1        2.148  -0.414   1.284  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        2.366  -1.076   0.069  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        1.432  -0.927  -0.958  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        3.611  -1.895  -0.072  0.00  0.00    +0.166 C 
ATOM      8  O   LIG    1        4.244  -2.187   0.943  0.00  0.00    -0.292 OA
BRANCH   7   9
ATOM      9  C   LIG    1        4.061  -2.365  -1.454  0.00  0.00    +0.054 C 
ATOM     10  C   LIG    1        5.588  -2.413  -1.523  0.00  0.00    +0.015 C 
ATOM     11  C   LIG    1        3.471  -3.741  -1.748  0.00  0.00    +0.015 C 
ENDBRANCH   7   9
ENDBRANCH   5   7
BRANCH   1  12
ATOM     12  C   LIG    1       -0.653   0.043  -1.959  0.00  0.00    +0.038 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -1.441   1.596  -3.779  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -0.504   1.427  -2.593  0.00  0.00    +0.001 C 
ENDBRANCH  12  14
ENDBRANCH   1  12
BRANCH   2  15
ATOM     15  O   LIG    1       -1.093   1.221   0.624  0.00  0.00    -0.472 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -2.087   0.599   1.455  0.00  0.00    +0.311 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.193   0.023   0.582  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -3.417  -1.362   0.544  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -4.440  -1.891  -0.244  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.246  -1.044  -1.002  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.028   0.332  -0.981  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.006   0.865  -0.196  0.00  0.00    +0.008 A 
ENDBRANCH  16  17
BRANCH  16  23
ATOM     23  C   LIG    1       -2.654   1.614   2.478  0.00  0.00    +0.351 C 
ATOM     24  O   LIG    1       -2.171   2.712   2.722  0.00  0.00    -0.246 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -3.744   1.169   3.162  0.00  0.00    -0.478 OA
ATOM     26  H   LIG    1       -4.095   0.313   2.850  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  16  23
ENDBRANCH  15  16
ENDBRANCH   2  15
BRANCH   3  27
ATOM     27  C   LIG    1        0.919   1.164   2.786  0.00  0.00    +0.038 C 
BRANCH  27  28
ATOM     28  C   LIG    1        1.259   2.641   2.576  0.00  0.00    +0.001 C 
ATOM     29  C   LIG    1        1.209   3.414   3.885  0.00  0.00    +0.004 C 
ENDBRANCH  27  28
ENDBRANCH   3  27
TORSDOF 11