REMARK  Name = BDB043087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.022  -0.590  -0.469  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -1.669  -0.443   0.252  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1       -1.298   0.660   0.672  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.913  -1.580   0.438  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -1.287  -2.947   0.081  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1       -0.123  -3.802   0.608  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        0.427  -2.994   1.780  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        1.869  -3.344   2.142  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1        2.658  -2.091   2.520  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1        2.775  -1.172   1.380  0.00  0.00    -0.300 NA
ATOM     11  C   LIG    1        1.521  -1.003   0.619  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1       -1.456  -3.167  -1.424  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -2.745  -2.597  -2.004  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        0.256  -1.543   1.317  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1       -2.856  -1.080  -1.906  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -5.018   0.892  -0.532  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1       -3.648   0.731  -0.448  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1       -3.085   1.484  -0.060  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -5.783  -0.055  -0.692  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -5.467   2.365  -0.373  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1       -6.987   2.475  -0.464  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1       -4.731   4.586  -1.058  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -4.814   3.180  -1.424  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1       -3.873   2.821  -1.591  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1        3.376   0.106   1.791  0.00  0.00    +0.088 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.983   0.910   0.619  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1        5.095   0.142  -0.108  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1        5.620   0.910  -1.325  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1        5.486   2.428  -1.200  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1        5.599   2.883   0.247  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1        4.513   2.266   1.133  0.00  0.00    +0.005 C 
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 5