REMARK  Name = BDB027605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.326   0.890   0.380  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.617   2.256   0.542  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.962   2.607   0.409  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.262   3.950   0.577  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.373   4.942   0.847  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.085   4.575   0.950  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.924   1.716   0.134  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        2.547   0.440  -0.030  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.339   3.266   0.808  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        1.283   0.000   0.082  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        3.595  -0.550  -0.347  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        3.298  -1.911  -0.509  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        4.316  -2.803  -0.806  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        5.607  -2.446  -0.953  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        5.890  -1.137  -0.796  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        4.939  -0.173  -0.499  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.003   0.462   0.518  0.00  0.00    -0.323 N 
ATOM     18  H   LIG    1       -1.345   0.784   1.422  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.440  -0.923   0.251  0.00  0.00    +0.030 C 
ATOM     20  C   LIG    1       -1.088  -1.375  -1.176  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -0.851  -1.893   1.292  0.00  0.00    +0.031 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -2.987  -0.944   0.430  0.00  0.00    +0.053 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.759  -0.052  -0.547  0.00  0.00    +0.161 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -5.888  -1.107  -0.710  0.00  0.00    +0.193 C 
ATOM     25  O   LIG    1       -5.146  -0.008  -0.198  0.00  0.00    -0.383 OA
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 6