REMARK  Name = BDB029658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.470   0.171  -1.253  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.699   0.414  -2.123  0.00  0.00    +0.109 C 
ATOM      3  C   LIG    1       -1.968  -0.459  -1.888  0.00  0.00    +0.118 C 
ATOM      4  N   LIG    1       -2.383  -0.395  -0.451  0.00  0.00    -0.321 N 
ATOM      5  C   LIG    1       -1.339   0.024   0.509  0.00  0.00    +0.121 C 
ATOM      6  C   LIG    1        0.071  -0.405   0.047  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.728  -0.220  -0.122  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -4.786  -0.661  -0.934  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1       -6.115  -0.524  -0.678  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1       -6.436   0.081   0.492  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1       -5.494   0.545   1.391  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -4.141   0.386   1.076  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -7.898   0.235   0.788  0.00  0.00    +0.262 C 
ATOM     14  N   LIG    1       -8.727  -0.327  -0.160  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -8.264  -0.718  -0.978  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1      -10.158  -0.211  -0.116  0.00  0.00    +0.128 C 
ATOM     17  O   LIG    1       -8.290   0.819   1.791  0.00  0.00    -0.269 OA
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   3  18
ATOM     18  C   LIG    1       -1.724  -1.908  -2.339  0.00  0.00    +0.237 C 
ATOM     19  F   LIG    1       -2.913  -2.542  -2.538  0.00  0.00    -0.247 F 
ENDBRANCH   3  18
BRANCH   1  20
ATOM     20  C   LIG    1        1.530  -0.600  -1.913  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1        7.105   0.368   1.318  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        6.518   1.708   0.982  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1        7.071   2.757   1.298  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1        5.328   1.715   0.301  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1        4.945   2.625   0.084  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1        4.664   0.548  -0.093  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1        5.212  -0.698   0.205  0.00  0.00    +0.088 A 
ATOM     28  N   LIG    1        4.639  -1.871  -0.139  0.00  0.00    -0.253 NA
ATOM     29  C   LIG    1        3.466  -1.791  -0.809  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1        2.832  -0.596  -1.151  0.00  0.00    -0.013 A 
ATOM     31  C   LIG    1        3.461   0.601  -0.784  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1        6.476  -0.756   0.930  0.00  0.00    +0.038 A 
BRANCH  21  34
ATOM     33  C   LIG    1        8.246   0.638   3.542  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        8.416   0.355   2.055  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 6