REMARK  Name = BDB012829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.851   0.556   0.189  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.021  -0.595  -0.373  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.354  -0.115  -0.303  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.386  -0.926  -0.753  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        2.153  -2.038  -1.223  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.456   1.009   0.621  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.081   1.111   1.273  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -3.523  -1.734   3.568  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -3.481  -0.981   2.272  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -2.270  -0.569   1.834  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -2.207   0.122   0.672  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -3.341   0.397  -0.087  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -4.594  -0.029   0.365  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -4.655  -0.733   1.571  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -5.812   0.238  -0.413  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.405   1.512  -0.500  0.00  0.00    +0.049 A 
ATOM     17 CL   LIG    1       -5.752   2.883   0.331  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1       -7.564   1.713  -1.259  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -8.149   0.648  -1.942  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -7.579  -0.619  -1.867  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -6.422  -0.822  -1.110  0.00  0.00    +0.010 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  22
ATOM     22  C   LIG    1        3.733  -0.423  -0.652  0.00  0.00    +0.121 A 
ATOM     23  N   LIG    1        4.132   0.863  -0.878  0.00  0.00    -0.272 N 
ATOM     24  H   LIG    1        3.557   1.648  -1.161  0.00  0.00    +0.189 HD
ATOM     25  N   LIG    1        5.447   1.072  -0.714  0.00  0.00    -0.178 NA
ATOM     26  C   LIG    1        5.935  -0.147  -0.447  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1        4.905  -1.115  -0.416  0.00  0.00    +0.057 A 
BRANCH  26  28
ATOM     28  C   LIG    1        7.404  -0.369  -0.227  0.00  0.00    +0.033 C 
ATOM     29  C   LIG    1        8.225  -0.017  -1.469  0.00  0.00    +0.014 C 
ATOM     30  C   LIG    1        7.918   0.398   0.994  0.00  0.00    +0.014 C 
ENDBRANCH  26  28
ENDBRANCH   4  22
TORSDOF 4