REMARK  Name = BDB026929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.161   1.089  -0.486  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.146   2.558  -0.224  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.913   3.324  -1.118  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.176   4.670  -0.857  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -0.667   5.272   0.292  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        0.114   4.532   1.176  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        0.378   3.186   0.918  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  C   LIG    1       -1.093   0.314  -0.982  0.00  0.00    +0.186 C 
ATOM      9  O   LIG    1       -1.227   0.054  -2.184  0.00  0.00    -0.290 OA
BRANCH   8  14
ATOM     10  C   LIG    1       -5.896  -1.992   2.378  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1       -5.135  -1.819   1.095  0.00  0.00    -0.027 A 
ATOM     12  C   LIG    1       -3.948  -1.073   0.966  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1       -3.262  -0.924  -0.244  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -2.104  -0.107  -0.000  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1       -2.130   0.210   1.346  0.00  0.00    +0.095 A 
ATOM     16  C   LIG    1       -3.788  -1.554  -1.391  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1       -4.963  -2.301  -1.296  0.00  0.00    +0.001 A 
ATOM     18  N   LIG    1       -3.238  -0.365   1.908  0.00  0.00    -0.360 N 
ATOM     19  H   LIG    1       -3.506  -0.280   2.879  0.00  0.00    +0.165 HD
ATOM     20  C   LIG    1       -5.621  -2.429  -0.076  0.00  0.00    +0.005 A 
ENDBRANCH   8  14
ENDBRANCH   1   8
BRANCH   1  21
ATOM     21  N   LIG    1        1.256   1.000  -1.486  0.00  0.00    -0.300 NA
ATOM     22  H   LIG    1        0.809   0.897  -2.403  0.00  0.00    +0.123 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.235  -0.085  -1.298  0.00  0.00    +0.056 C 
ATOM     24  C   LIG    1        1.594  -1.477  -1.274  0.00  0.00    +0.024 C 
BRANCH  23  25
ATOM     25  C   LIG    1        3.136   0.181  -0.065  0.00  0.00    +0.055 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.361  -0.709   0.015  0.00  0.00    -0.028 A 
ATOM     27  C   LIG    1        5.528  -0.469  -0.734  0.00  0.00    +0.046 A 
ATOM     28 CL   LIG    1        5.671   0.885  -1.796  0.00  0.00    -0.083 Cl
ATOM     29  C   LIG    1        6.629  -1.325  -0.634  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1        6.574  -2.426   0.214  0.00  0.00    +0.042 A 
ATOM     31 CL   LIG    1        7.928  -3.480   0.337  0.00  0.00    -0.083 Cl
ATOM     32  C   LIG    1        5.431  -2.681   0.966  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        4.331  -1.827   0.867  0.00  0.00    +0.006 A 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 7