REMARK  Name = BDB006929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.747  -0.707   4.394  0.00  0.00    +0.017 C 
ATOM      2  C   LIG    1       -1.075   0.211   3.212  0.00  0.00    +0.009 C 
ATOM      3  C   LIG    1       -1.965  -0.481   2.217  0.00  0.00    -0.001 A 
ATOM      4  C   LIG    1       -1.346  -0.642   0.985  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -2.011  -1.255  -0.059  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -3.309  -1.702   0.182  0.00  0.00    +0.047 A 
ATOM      7  N   LIG    1       -3.931  -1.560   1.388  0.00  0.00    -0.259 NA
ATOM      8  N   LIG    1       -0.045  -0.104   1.014  0.00  0.00    -0.269 N 
ATOM      9  C   LIG    1        0.860  -0.107  -0.046  0.00  0.00    +0.234 C 
ATOM     10  O   LIG    1        0.623  -0.624  -1.139  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1       -3.249  -0.951   2.381  0.00  0.00    +0.117 A 
ATOM     12  C   LIG    1        0.186   0.480   2.349  0.00  0.00    +0.124 C 
ATOM     13  C   LIG    1       -1.694   1.522   3.707  0.00  0.00    +0.017 C 
ENDROOT
BRANCH   6  14
ATOM     14  C   LIG    1       -4.098  -2.367  -0.925  0.00  0.00    +0.090 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.638  -1.396  -1.951  0.00  0.00    -0.042 A 
ATOM     16  C   LIG    1       -5.746  -0.591  -1.646  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -6.243   0.313  -2.585  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.637   0.425  -3.835  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.532  -0.365  -4.146  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.033  -1.271  -3.209  0.00  0.00    +0.004 A 
ENDBRANCH  14  15
ENDBRANCH   6  14
BRANCH   9  21
ATOM     21  C   LIG    1        2.208   0.588   0.263  0.00  0.00    +0.181 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.144   0.576  -0.879  0.00  0.00    -0.291 NA
ATOM     23  C   LIG    1        4.237   1.547  -0.674  0.00  0.00    +0.106 C 
ATOM     24  C   LIG    1        5.469   1.257  -1.570  0.00  0.00    +0.099 C 
ATOM     25  N   LIG    1        6.097  -0.052  -1.261  0.00  0.00    -0.309 NA
ATOM     26  H   LIG    1        6.824   0.085  -0.556  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1        5.118  -1.018  -0.735  0.00  0.00    +0.096 C 
ATOM     28  C   LIG    1        3.662  -0.773  -1.189  0.00  0.00    +0.100 C 
BRANCH  24  29
ATOM     29  C   LIG    1        6.494   2.389  -1.429  0.00  0.00    +0.233 C 
ATOM     30  F   LIG    1        6.935   2.442  -0.140  0.00  0.00    -0.247 F 
ENDBRANCH  24  29
ENDBRANCH  21  22
ENDBRANCH   9  21
TORSDOF 5