REMARK  Name = BDB027653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.459   0.874   0.925  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.877   1.075   2.249  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        2.195   0.703   2.515  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.624   0.882   3.821  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.885   1.387   4.845  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.627   1.752   4.549  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        3.018   0.204   1.581  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        2.533   0.079   0.335  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.081   1.619   3.285  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        1.280   0.399  -0.025  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        3.431  -0.455  -0.706  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        4.749  -0.837  -0.414  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        5.556  -1.334  -1.426  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        5.151  -1.480  -2.704  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        3.885  -1.111  -2.980  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.007  -0.604  -2.035  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -0.870   1.206   0.547  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1       -1.508   0.755   1.199  0.00  0.00    +0.148 HD
BRANCH  17  21
ATOM     19  C   LIG    1       -2.921   0.234  -1.944  0.00  0.00    +0.101 C 
ATOM     20  C   LIG    1       -1.672  -0.350  -1.229  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -1.316   1.093  -0.812  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1       -2.812   1.440  -0.971  0.00  0.00    +0.037 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.223  -0.598  -1.938  0.00  0.00    +0.310 C 
ATOM     24  O   LIG    1       -4.880  -0.881  -2.939  0.00  0.00    -0.251 OA
BRANCH  23  26
ATOM     25  C   LIG    1       -5.776  -1.770  -0.620  0.00  0.00    +0.280 C 
ATOM     26  O   LIG    1       -4.578  -0.993  -0.677  0.00  0.00    -0.468 OA
ENDBRANCH  23  26
ENDBRANCH  19  23
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 5