REMARK  Name = BDB013179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.444   0.046   0.438  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.753  -1.029   1.053  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.416  -1.154   0.765  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.012  -2.229   1.490  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.996  -2.748   2.156  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.275  -0.291  -0.098  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.371   0.701  -0.652  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.112  -1.988   1.881  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.716   0.842  -0.373  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.567  -1.641  -0.834  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        4.889  -0.443   0.020  0.00  0.00    -0.041 A 
ATOM     12  C   LIG    1        3.881   0.339   0.622  0.00  0.00    -0.010 A 
ATOM     13  C   LIG    1        4.242   1.432   1.428  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        5.585   1.749   1.643  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        6.587   0.974   1.056  0.00  0.00    +0.052 A 
ATOM     16  C   LIG    1        6.238  -0.117   0.253  0.00  0.00    +0.022 A 
BRANCH  15  17
ATOM     17  C   LIG    1        7.967   1.293   1.278  0.00  0.00    +0.099 C 
ATOM     18  N   LIG    1        9.084   1.557   1.453  0.00  0.00    -0.191 NA
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  19
ATOM     19  N   LIG    1       -1.617  -0.511  -0.331  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.966  -1.455  -0.208  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.320   0.212  -1.379  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.795  -0.032  -1.247  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.555   0.540  -0.231  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.142   1.410   0.897  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -5.522   1.860   1.379  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.509   0.894   0.951  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.912   0.270  -0.113  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.574  -0.573  -0.983  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -5.835  -1.153  -2.013  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.465  -0.882  -2.135  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -3.783  -1.476  -3.126  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5