REMARK  Name = BDB029275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.171  -1.244   1.520  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.230  -0.208   2.150  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.661  -1.084   3.011  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -0.770  -2.376   2.214  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.387  -2.450   1.338  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        3.383   1.533  -1.809  0.00  0.00    +0.076 A 
ATOM      7  C   LIG    1        2.778   0.357  -1.351  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1        2.486  -0.934  -1.871  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        1.879  -1.661  -0.871  0.00  0.00    +0.091 A 
ATOM     10  N   LIG    1        1.746  -0.850   0.234  0.00  0.00    -0.303 N 
ATOM     11  C   LIG    1        2.324   0.371  -0.036  0.00  0.00    +0.147 A 
ATOM     12  N   LIG    1        2.424   1.400   0.829  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        3.028   2.467   0.271  0.00  0.00    +0.224 A 
ATOM     14  N   LIG    1        3.502   2.594  -0.978  0.00  0.00    -0.235 NA
BRANCH   6  16
ATOM     15  C   LIG    1        4.483   2.717  -3.684  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1        3.893   1.625  -3.178  0.00  0.00    +0.021 C 
ENDBRANCH   6  16
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  O   LIG    1        0.882   0.758   2.983  0.00  0.00    -0.385 OA
ATOM     18  H   LIG    1        1.508   1.232   2.390  0.00  0.00    +0.210 HD
ENDBRANCH   2  17
BRANCH   3  19
ATOM     19  O   LIG    1        0.020  -1.346   4.252  0.00  0.00    -0.386 OA
ATOM     20  H   LIG    1        0.427  -0.488   4.501  0.00  0.00    +0.210 HD
ENDBRANCH   3  19
BRANCH   4  21
ATOM     21  C   LIG    1       -2.066  -2.540   1.383  0.00  0.00    +0.176 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.399  -1.393   0.449  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -3.311  -0.403   0.858  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -3.543   0.652   0.007  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1       -4.313   1.929  -0.167  0.00  0.00    +0.040 C 
ATOM     26  C   LIG    1       -3.603   2.049  -1.556  0.00  0.00    +0.040 C 
ATOM     27  C   LIG    1       -2.923   0.757  -1.212  0.00  0.00    -0.044 A 
ATOM     28  C   LIG    1       -2.038  -0.190  -1.663  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -1.781  -1.276  -0.822  0.00  0.00    +0.006 A 
ENDBRANCH  21  22
BRANCH  21  30
ATOM     30  O   LIG    1       -1.992  -3.753   0.622  0.00  0.00    -0.385 OA
ATOM     31  H   LIG    1       -1.043  -3.913   0.462  0.00  0.00    +0.210 HD
ENDBRANCH  21  30
ENDBRANCH   4  21
TORSDOF 7