REMARK  Name = BDB021086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.273   0.997   1.134  0.00  0.00    -0.283 N 
ATOM      2  C   LIG    1        0.098   0.934   0.738  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.042   1.891   1.167  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        2.387   1.812   0.748  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        2.819   0.809  -0.126  0.00  0.00    -0.015 A 
ATOM      6  C   LIG    1        1.881  -0.117  -0.584  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        0.660   3.001   2.111  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.844   3.200   2.148  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        0.547  -0.048  -0.163  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -1.513   1.846   2.312  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  20
ATOM     11  C   LIG    1       -7.667   1.735  -1.566  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -6.273   2.042  -1.084  0.00  0.00    +0.213 C 
ATOM     13  N   LIG    1       -5.576   1.018  -0.451  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1       -4.259   1.378   0.086  0.00  0.00    +0.164 C 
ATOM     15  C   LIG    1       -3.485   0.181   0.493  0.00  0.00    +0.078 A 
ATOM     16  N   LIG    1       -3.995  -1.091   0.458  0.00  0.00    -0.327 N 
ATOM     17  C   LIG    1       -3.024  -1.958   0.862  0.00  0.00    +0.115 A 
ATOM     18  N   LIG    1       -1.921  -1.313   1.170  0.00  0.00    -0.217 NA
ATOM     19  C   LIG    1       -5.331  -1.403   0.009  0.00  0.00    +0.142 C 
ATOM     20  C   LIG    1       -2.190   0.011   0.935  0.00  0.00    +0.149 A 
ATOM     21  C   LIG    1       -6.223  -0.171   0.116  0.00  0.00    +0.129 C 
ATOM     22  O   LIG    1       -5.790   3.160  -1.264  0.00  0.00    -0.276 OA
BRANCH  17  23
ATOM     23  C   LIG    1       -3.160  -3.502   0.956  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -2.000  -4.357   0.514  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -3.251  -4.308  -0.314  0.00  0.00    +0.012 C 
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   5  26
ATOM     26  C   LIG    1        4.208   0.753  -0.549  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        4.885  -0.392  -0.914  0.00  0.00    +0.117 A 
ATOM     28  N   LIG    1        6.164  -0.008  -1.211  0.00  0.00    -0.268 N 
ATOM     29  N   LIG    1        6.364   1.315  -1.091  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        5.179   1.773  -0.678  0.00  0.00    +0.142 A 
BRANCH  28  31
ATOM     31  C   LIG    1        7.199  -0.966  -1.677  0.00  0.00    +0.107 C 
ATOM     32  C   LIG    1        7.757  -1.836  -0.522  0.00  0.00    +0.027 C 
ATOM     33  C   LIG    1        8.904  -0.818  -0.372  0.00  0.00    +0.004 C 
ATOM     34  C   LIG    1        8.624  -0.380  -1.823  0.00  0.00    +0.027 C 
ENDBRANCH  28  31
ENDBRANCH   5  26
TORSDOF 4