REMARK  Name = BDB031298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.824   0.432   0.456  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1        3.967  -0.316  -0.721  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        2.835  -0.884  -1.289  0.00  0.00    -0.024 A 
ATOM      4  C   LIG    1        2.766  -1.715  -2.533  0.00  0.00    +0.056 C 
ATOM      5  C   LIG    1        1.331  -2.244  -2.460  0.00  0.00    +0.120 C 
ATOM      6  N   LIG    1        0.612  -1.381  -1.513  0.00  0.00    -0.255 N 
ATOM      7  C   LIG    1       -0.764  -1.471  -1.395  0.00  0.00    +0.311 C 
ATOM      8  N   LIG    1       -1.355  -0.410  -0.748  0.00  0.00    -0.269 N 
ATOM      9  H   LIG    1       -0.809   0.438  -0.780  0.00  0.00    +0.156 HD
ATOM     10  O   LIG    1       -1.380  -2.404  -1.906  0.00  0.00    -0.252 OA
ATOM     11  C   LIG    1        1.565  -0.699  -0.734  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        1.413   0.012   0.445  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        2.549   0.584   1.037  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   8  14
ATOM     14  C   LIG    1       -2.704  -0.281  -0.361  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -3.135   0.999   0.028  0.00  0.00    +0.051 A 
ATOM     16  C   LIG    1       -4.446   1.127   0.423  0.00  0.00    +0.069 A 
ATOM     17  C   LIG    1       -5.324   0.048   0.452  0.00  0.00    +0.067 A 
ATOM     18  N   LIG    1       -6.558   0.509   0.894  0.00  0.00    -0.306 N 
ATOM     19  H   LIG    1       -7.401  -0.027   1.022  0.00  0.00    +0.170 HD
ATOM     20  C   LIG    1       -6.461   1.885   1.146  0.00  0.00    +0.325 A 
ATOM     21  O   LIG    1       -7.348   2.618   1.545  0.00  0.00    -0.247 OA
ATOM     22  C   LIG    1       -4.935  -1.216   0.089  0.00  0.00    +0.029 A 
ATOM     23  N   LIG    1       -5.140   2.255   0.849  0.00  0.00    -0.306 N 
ATOM     24  H   LIG    1       -4.792   3.195   0.939  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1       -3.602  -1.375  -0.319  0.00  0.00    +0.025 A 
ENDBRANCH   8  14
BRANCH   1  26
ATOM     26  C   LIG    1        5.050   1.028   1.057  0.00  0.00    +0.339 C 
ATOM     27  O   LIG    1        6.165   0.897   0.580  0.00  0.00    -0.245 OA
BRANCH  26  29
ATOM     28  C   LIG    1        5.872   2.325   2.816  0.00  0.00    +0.280 C 
ATOM     29  O   LIG    1        4.743   1.723   2.181  0.00  0.00    -0.464 OA
ENDBRANCH  26  29
ENDBRANCH   1  26
TORSDOF 3