REMARK  Name = BDB027638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.247  -1.013   0.452  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.350  -2.079   1.147  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.725  -2.225   0.961  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.322  -3.282   1.632  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.695  -4.168   2.450  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.376  -3.987   2.623  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.450  -1.405   0.188  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.800  -0.396  -0.410  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.334  -2.974   2.005  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.479  -0.177  -0.302  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.584   0.535  -1.243  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        1.994   1.657  -1.846  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        2.771   2.504  -2.620  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        4.088   2.322  -2.839  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        4.652   1.245  -2.257  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.955   0.343  -1.467  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.632  -0.808   0.571  0.00  0.00    -0.323 N 
ATOM     18  H   LIG    1       -2.096  -1.686   0.345  0.00  0.00    +0.148 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -2.230   0.237  -1.610  0.00  0.00    +0.032 C 
ATOM     20  C   LIG    1       -2.326   0.337  -0.077  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1       -3.818   0.166   0.307  0.00  0.00    +0.032 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -1.810   1.678   0.483  0.00  0.00    +0.145 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.486   2.874  -0.121  0.00  0.00    +0.307 C 
ATOM     24  O   LIG    1       -3.553   3.354   0.223  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -1.798   3.408  -1.149  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1       -2.341   4.176  -1.427  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 6