REMARK  Name = BDB011129
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.679  -0.353   1.413  0.00  0.00    +0.100 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.577  -0.611   0.669  0.00  0.00    +0.086 A 
ATOM      3  C   LIG    1        0.817  -1.491  -0.365  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        0.003  -2.468  -1.108  0.00  0.00    +0.088 C 
ATOM      5  O   LIG    1        2.127  -1.363  -0.728  0.00  0.00    -0.440 OA
ATOM      6  C   LIG    1        2.625  -0.404   0.117  0.00  0.00    +0.228 A 
ATOM      7  N   LIG    1        1.732   0.078   0.962  0.00  0.00    -0.214 NA
BRANCH   6   8
ATOM      8  C   LIG    1        4.035  -0.058  -0.037  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        4.591   0.957   0.748  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        5.943   1.308   0.628  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        6.789   0.655  -0.280  0.00  0.00    -0.042 A 
ATOM     12  C   LIG    1        6.217  -0.355  -1.074  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        4.866  -0.708  -0.953  0.00  0.00    +0.013 A 
BRANCH  11  14
ATOM     14  C   LIG    1        8.278   1.016  -0.436  0.00  0.00    -0.013 C 
ATOM     15  C   LIG    1        9.153  -0.252  -0.311  0.00  0.00    +0.015 C 
ATOM     16  C   LIG    1        8.790   2.021   0.622  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1        8.499   1.648  -1.826  0.00  0.00    +0.015 C 
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -1.304   0.990   1.039  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.631   1.101   1.564  0.00  0.00    -0.492 OA
BRANCH  19  24
ATOM     20  C   LIG    1       -6.051  -0.017   0.957  0.00  0.00    -0.041 A 
ATOM     21  C   LIG    1       -5.963  -0.604  -0.320  0.00  0.00    -0.043 A 
ATOM     22  C   LIG    1       -4.719  -0.619  -0.976  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -3.580  -0.060  -0.390  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -3.658   0.521   0.870  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1       -4.889   0.538   1.530  0.00  0.00    +0.049 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -7.449  -1.214   2.667  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1       -7.326   0.010   1.771  0.00  0.00    +0.032 C 
ENDBRANCH  20  27
BRANCH  21  28
ATOM     28  C   LIG    1       -7.159  -1.183  -1.048  0.00  0.00    +0.046 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -7.955  -0.118  -1.796  0.00  0.00    +0.125 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -7.237   0.328  -3.044  0.00  0.00    +0.305 C 
ATOM     31  O   LIG    1       -7.339  -0.237  -4.124  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -6.433   1.399  -2.858  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1       -6.386   1.700  -1.927  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11