REMARK  Name = BDB006842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.111   0.915  -0.682  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -1.414   0.524  -0.417  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -2.042   0.021   0.738  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -3.377  -0.296   0.448  0.00  0.00    -0.019 A 
ATOM      5  C   LIG    1       -4.229  -0.813   1.419  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -3.737  -0.999   2.708  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.413  -0.666   3.010  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.708  -0.030  -1.003  0.00  0.00    +0.008 C 
ATOM      9  C   LIG    1       -4.955   0.841  -1.176  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1       -3.864  -1.350  -1.768  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1       -1.560  -0.151   2.025  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -2.438   0.724  -1.454  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1        0.147   1.521  -1.730  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1        0.984   0.551   0.331  0.00  0.00    +0.181 C 
BRANCH  14  21
ATOM     15  C   LIG    1        5.817   0.425   1.445  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1        4.816   0.591   0.303  0.00  0.00    +0.065 C 
ATOM     17  N   LIG    1        5.064  -0.462  -0.705  0.00  0.00    -0.311 NA
ATOM     18  H   LIG    1        4.939  -1.371  -0.260  0.00  0.00    +0.122 HD
ATOM     19  C   LIG    1        4.061  -0.334  -1.777  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1        2.608  -0.380  -1.253  0.00  0.00    +0.100 C 
ATOM     21  N   LIG    1        2.354   0.651  -0.226  0.00  0.00    -0.291 NA
ATOM     22  C   LIG    1        3.361   0.552   0.848  0.00  0.00    +0.103 C 
ENDBRANCH  14  21
ENDBRANCH   1  14
TORSDOF 2