REMARK  Name = BDB051503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.100   0.910   0.277  0.00  0.00    +0.171 C 
ATOM      2  C   LIG    1        0.077   1.426   1.738  0.00  0.00    +0.254 C 
ATOM      3  O   LIG    1       -0.084   0.770   2.759  0.00  0.00    -0.272 OA
ATOM      4  N   LIG    1        0.248   2.778   1.676  0.00  0.00    -0.245 N 
ATOM      5  C   LIG    1        0.231   3.640   2.835  0.00  0.00    +0.141 C 
ATOM      6  C   LIG    1        0.254   3.152   0.385  0.00  0.00    +0.183 C 
ATOM      7  N   LIG    1        0.160   2.210  -0.495  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -1.249   0.174  -0.121  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1       -1.426  -1.194   0.605  0.00  0.00    +0.013 C 
ATOM     10  C   LIG    1       -2.746  -1.881   0.206  0.00  0.00    -0.010 C 
ATOM     11  C   LIG    1       -2.749  -2.131  -1.309  0.00  0.00    +0.007 C 
ATOM     12  C   LIG    1       -2.625  -0.796  -2.058  0.00  0.00    -0.010 C 
ATOM     13  C   LIG    1       -3.806   0.109  -1.684  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1       -3.809   0.364  -0.170  0.00  0.00    -0.010 C 
ATOM     15  C   LIG    1       -3.926  -0.972   0.575  0.00  0.00    +0.007 C 
ATOM     16  C   LIG    1       -1.306  -0.110  -1.657  0.00  0.00    +0.013 C 
ATOM     17  C   LIG    1       -2.494   1.053   0.231  0.00  0.00    +0.013 C 
ENDBRANCH   1   8
BRANCH   1  22
ATOM     18  C   LIG    1        3.724  -1.411  -0.561  0.00  0.00    +0.123 A 
ATOM     19  C   LIG    1        3.049  -1.583   0.657  0.00  0.00    -0.008 A 
ATOM     20  C   LIG    1        3.550  -2.565   1.681  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1        1.886  -0.837   0.922  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        1.377   0.090  -0.003  0.00  0.00    -0.010 A 
ATOM     23  C   LIG    1        2.071   0.240  -1.214  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        3.228  -0.498  -1.491  0.00  0.00    +0.046 A 
BRANCH  18  26
ATOM     25  C   LIG    1        5.536  -2.053  -1.972  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        4.845  -2.180  -0.736  0.00  0.00    -0.495 OA
ENDBRANCH  18  26
ENDBRANCH   1  22
BRANCH   6  27
ATOM     27  N   LIG    1        0.348   4.451   0.017  0.00  0.00    -0.331 N 
ATOM     28  H   LIG    1        0.554   4.546  -0.973  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        0.942   5.034   0.592  0.00  0.00    +0.145 HD
ENDBRANCH   6  27
TORSDOF 4