REMARK  Name = BDB026513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.928   0.051  -0.737  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1        1.819  -1.091   0.069  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        1.003  -0.770   1.158  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        0.699  -1.690   2.140  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        1.244  -2.975   2.006  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1        2.070  -3.298   0.904  0.00  0.00    +0.021 A 
ATOM      7  N   LIG    1        0.618   0.571   1.025  0.00  0.00    -0.289 N 
ATOM      8  C   LIG    1        2.365  -2.348  -0.082  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        1.194   1.099  -0.150  0.00  0.00    +0.331 A 
ATOM     10  O   LIG    1        1.067   2.239  -0.568  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        0.965  -3.973   2.998  0.00  0.00    +0.099 C 
ATOM     12  N   LIG    1        0.738  -4.782   3.798  0.00  0.00    -0.191 NA
ENDBRANCH   5  11
BRANCH   1  13
ATOM     13  C   LIG    1        2.708   0.173  -1.942  0.00  0.00    +0.162 C 
BRANCH  13  17
ATOM     14  C   LIG    1        6.943   0.642  -1.169  0.00  0.00    +0.120 A 
ATOM     15  C   LIG    1        6.468  -0.471  -1.866  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        5.103  -0.627  -2.120  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        4.186   0.332  -1.674  0.00  0.00    -0.027 A 
ATOM     18  C   LIG    1        4.669   1.452  -0.982  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        6.037   1.606  -0.729  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1        8.831   1.787  -0.291  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        8.298   0.669  -0.990  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH  13  17
ENDBRANCH   1  13
BRANCH   7  22
ATOM     22  C   LIG    1       -0.241   1.301   1.924  0.00  0.00    +0.159 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.741   1.002   1.738  0.00  0.00    +0.148 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -2.436   1.554   2.867  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1       -2.503   2.516   2.732  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1       -2.292   1.578   0.406  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.652   1.192  -0.012  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1       -3.732  -0.219  -0.425  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1       -5.124  -0.645  -0.848  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -6.255   0.089  -0.451  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1       -7.534  -0.341  -0.829  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -7.691  -1.509  -1.574  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.575  -2.251  -1.952  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -6.084   1.373   0.323  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1       -5.297  -1.824  -1.589  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1       -4.697   1.490   0.972  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 9