REMARK  Name = BDB027702
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.035  -0.261   0.763  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.322  -0.090   2.132  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -1.658   0.172   2.435  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -1.956   0.355   3.777  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -1.073   0.295   4.809  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.201   0.022   4.487  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -2.619   0.245   1.505  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1       -2.256   0.039   0.230  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.623  -0.176   3.185  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -1.000  -0.211  -0.168  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -3.308   0.096  -0.802  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -4.642   0.387  -0.477  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -5.597   0.431  -1.482  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1       -5.326   0.208  -2.783  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -4.045  -0.072  -3.091  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -3.023  -0.138  -2.156  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1        1.318  -0.510   0.388  0.00  0.00    -0.322 N 
ATOM     18  H   LIG    1        1.890   0.221   0.817  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.815  -0.878  -0.970  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        0.971  -1.696  -1.922  0.00  0.00    +0.028 C 
ATOM     21  C   LIG    1        1.252  -0.250  -2.224  0.00  0.00    +0.028 C 
BRANCH  19  22
ATOM     22  C   LIG    1        3.312  -1.187  -0.982  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.187   0.038  -0.866  0.00  0.00    +0.309 C 
ATOM     24  O   LIG    1        5.096   0.305  -1.642  0.00  0.00    -0.251 OA
BRANCH  23  26
ATOM     25  C   LIG    1        4.667   1.947   0.402  0.00  0.00    +0.280 C 
ATOM     26  O   LIG    1        3.861   0.778   0.235  0.00  0.00    -0.468 OA
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 6