REMARK  Name = BDB051458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.602   0.481  -0.139  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -3.328   0.060   0.283  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -3.243  -0.826   1.354  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -1.897  -1.040   1.514  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -1.482  -1.655   2.196  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -1.209  -0.289   0.589  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -4.355  -1.325   2.037  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -5.612  -0.893   1.603  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -2.065   0.387  -0.155  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -5.740  -0.005   0.533  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.252  -0.258   0.452  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        1.115  -0.889   1.356  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        2.506  -0.831   1.179  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        3.076  -0.142   0.097  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1        2.207   0.489  -0.803  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        0.819   0.433  -0.627  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1        4.533  -0.087  -0.088  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.396   0.293   0.943  0.00  0.00    +0.119 A 
ATOM     19  N   LIG    1        6.747   0.356   0.843  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1        7.278   0.031  -0.353  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1        6.524  -0.355  -1.448  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        5.138  -0.413  -1.309  0.00  0.00    +0.011 A 
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  26
ATOM     23  N   LIG    1       -5.651   2.421  -1.118  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -5.958   2.700  -0.196  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -5.638   3.129  -1.841  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1       -4.748   1.402  -1.282  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1       -4.124   1.279  -2.326  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 3