REMARK  Name = BDB059150
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.324  -1.427  -1.130  0.00  0.00    +0.247 C 
ATOM      2  C   LIG    1       -0.833  -0.474  -0.677  0.00  0.00    +0.177 A 
ATOM      3  N   LIG    1       -1.643  -1.260   0.067  0.00  0.00    -0.262 N 
ATOM      4  C   LIG    1       -2.803  -0.846   0.668  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -3.103   0.592   0.445  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -2.190   1.344  -0.357  0.00  0.00    +0.075 A 
ATOM      7  C   LIG    1       -2.440   2.698  -0.591  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -3.566   3.318  -0.050  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -4.456   2.587   0.735  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.229   1.231   0.983  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -3.526  -1.743   1.360  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -2.950  -3.126   1.377  0.00  0.00    +0.116 A 
ATOM     13  N   LIG    1       -1.857  -3.521   0.795  0.00  0.00    -0.220 NA
ATOM     14  C   LIG    1       -1.192  -2.538   0.115  0.00  0.00    +0.235 A 
ATOM     15  N   LIG    1       -1.018   0.785  -0.943  0.00  0.00    -0.228 NA
ATOM     16  N   LIG    1       -0.087  -2.780  -0.545  0.00  0.00    -0.203 NA
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        4.146   0.033   0.363  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1        3.590  -1.137   0.880  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        2.367  -1.621   0.405  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        1.668  -0.939  -0.602  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1        2.242   0.236  -1.117  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        3.467   0.720  -0.641  0.00  0.00    +0.046 A 
BRANCH  17  24
ATOM     23  C   LIG    1        5.962   1.564   0.400  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        5.343   0.393   0.918  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
ENDBRANCH   1  20
BRANCH   1  25
ATOM     25  O   LIG    1        0.395  -1.502  -2.540  0.00  0.00    -0.359 OA
ATOM     26  H   LIG    1        0.031  -2.384  -2.728  0.00  0.00    +0.213 HD
ENDBRANCH   1  25
TORSDOF 3