REMARK  Name = BDB049302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.769   1.547  -0.612  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -0.662   1.423  -0.693  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.174   2.678  -0.990  0.00  0.00    +0.139 A 
ATOM      4  N   LIG    1       -2.461   3.026  -1.155  0.00  0.00    -0.237 NA
ATOM      5  C   LIG    1       -3.309   1.977  -1.002  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.964   0.655  -0.697  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -0.127   3.546  -1.100  0.00  0.00    -0.345 N 
ATOM      8  H   LIG    1       -0.239   4.524  -1.325  0.00  0.00    +0.167 HD
ATOM      9  C   LIG    1       -1.596   0.379  -0.540  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1        1.054   2.883  -0.879  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -3.983  -0.396  -0.551  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1       -3.866  -1.617  -1.239  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.835  -2.615  -1.104  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -5.929  -2.405  -0.278  0.00  0.00    +0.117 A 
ATOM     15  C   LIG    1       -6.073  -1.211   0.419  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1       -5.103  -0.213   0.281  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  O   LIG    1       -6.850  -3.405  -0.174  0.00  0.00    -0.507 OA
ATOM     18  H   LIG    1       -7.543  -3.125   0.446  0.00  0.00    +0.292 HD
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  20
ATOM     19  O   LIG    1        1.349  -0.708  -0.336  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        1.719   0.460  -0.327  0.00  0.00    +0.250 C 
ATOM     21  N   LIG    1        3.004   0.891  -0.046  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        3.144   1.888  -0.003  0.00  0.00    +0.155 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.138   0.102   0.241  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        5.327   0.782   0.544  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        6.501   0.081   0.838  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        6.485  -1.307   0.827  0.00  0.00    +0.117 A 
ATOM     27  C   LIG    1        5.319  -1.998   0.528  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1        4.146  -1.294   0.234  0.00  0.00    +0.027 A 
BRANCH  26  29
ATOM     29  O   LIG    1        7.603  -2.035   1.107  0.00  0.00    -0.507 OA
ATOM     30  H   LIG    1        8.333  -1.425   1.299  0.00  0.00    +0.292 HD
ENDBRANCH  26  29
ENDBRANCH  21  23
ENDBRANCH   1  20
TORSDOF 5