REMARK  Name = BDB059732
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        7.117  -0.132  -1.104  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        5.994   0.141  -0.692  0.00  0.00    +0.248 C 
ATOM      3  C   LIG    1        5.261  -0.825   0.141  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1        3.888  -0.808   0.401  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1        3.283  -1.785   1.189  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1        4.064  -2.807   1.740  0.00  0.00    +0.140 A 
ATOM      7  N   LIG    1        5.399  -2.855   1.499  0.00  0.00    -0.260 NA
ATOM      8  N   LIG    1        1.934  -1.559   1.294  0.00  0.00    -0.226 NA
ATOM      9  C   LIG    1        1.675  -0.498   0.553  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1        2.851   0.021   0.043  0.00  0.00    -0.321 N 
ATOM     11  C   LIG    1        2.989   1.263  -0.693  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1        4.296   1.988  -0.400  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1        5.951  -1.892   0.717  0.00  0.00    +0.126 A 
ATOM     14  N   LIG    1        5.445   1.355  -1.016  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1        6.101   1.944  -1.518  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1        0.337   0.057   0.346  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1       -0.480   0.317   1.452  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -1.762   0.846   1.282  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -2.260   1.111  -0.001  0.00  0.00    -0.033 A 
ATOM     20  C   LIG    1       -1.446   0.836  -1.109  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -0.163   0.307  -0.938  0.00  0.00    +0.012 A 
BRANCH  19  22
ATOM     22  C   LIG    1       -3.652   1.680  -0.186  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.752   0.731  -0.327  0.00  0.00    -0.298 NA
ATOM     24  C   LIG    1       -5.004  -0.132   0.820  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1       -6.061  -1.089   0.285  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1       -5.859  -1.101  -1.229  0.00  0.00    +0.017 C 
ATOM     27  C   LIG    1       -4.696  -0.152  -1.484  0.00  0.00    +0.085 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   9  16
TORSDOF 3