REMARK  Name = BDB001829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.012   1.241   0.793  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1       -2.160   1.902   0.357  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -3.420   1.352   0.601  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -3.544   0.135   1.285  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1       -2.385  -0.524   1.717  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.125   0.028   1.474  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.370   2.259   0.327  0.00  0.00    -0.091 C 
ATOM      8  C   LIG    1        0.280   1.801   0.541  0.00  0.00    -0.066 C 
BRANCH   7   9
ATOM      9  C   LIG    1        2.704   2.811   0.057  0.00  0.00    +0.148 C 
BRANCH   9  12
ATOM     10  C   LIG    1        2.813   0.637  -2.516  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        3.682   0.859  -1.347  0.00  0.00    +0.127 A 
ATOM     12  C   LIG    1        3.668   1.726  -0.274  0.00  0.00    +0.094 A 
ATOM     13  N   LIG    1        4.760   1.470   0.530  0.00  0.00    -0.213 NA
ATOM     14  C   LIG    1        5.378   0.466  -0.064  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        4.771   0.045  -1.218  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        6.595  -0.236   0.337  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        7.261   0.148   1.511  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        8.428  -0.504   1.920  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        8.943  -1.550   1.159  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        8.295  -1.945  -0.009  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        7.128  -1.292  -0.417  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   7   9
ENDBRANCH   1   8
BRANCH   4  22
ATOM     22  C   LIG    1       -4.907  -0.475   1.527  0.00  0.00    +0.071 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.356  -1.413   0.393  0.00  0.00    +0.199 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -5.748  -0.698  -0.820  0.00  0.00    -0.339 N 
ATOM     25  C   LIG    1       -6.840   0.123  -0.958  0.00  0.00    +0.086 A 
ATOM     26  C   LIG    1       -6.847   0.612  -2.246  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1       -5.721   0.072  -2.909  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -5.058  -0.731  -2.007  0.00  0.00    +0.086 A 
ENDBRANCH  23  24
BRANCH  23  29
ATOM     29  C   LIG    1       -6.486  -2.297   0.876  0.00  0.00    +0.328 C 
ATOM     30  O   LIG    1       -7.338  -2.012   1.705  0.00  0.00    -0.249 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -6.498  -3.513   0.289  0.00  0.00    -0.479 OA
ATOM     32  H   LIG    1       -7.295  -3.954   0.651  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9