REMARK  Name = BDB027656
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.263   1.082  -0.330  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.220   1.791  -1.072  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -2.542   1.406  -0.852  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -3.505   2.103  -1.567  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -3.272   3.105  -2.455  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -1.986   3.438  -2.657  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -2.887   0.421  -0.007  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1       -1.895  -0.215   0.636  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.937   2.821  -2.000  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -0.593   0.079   0.501  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -2.260  -1.309   1.555  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -1.292  -1.985   2.312  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -1.681  -3.007   3.164  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1       -2.959  -3.407   3.318  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -3.886  -2.755   2.590  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -3.592  -1.722   1.714  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1        1.115   1.397  -0.475  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1        1.225   2.398  -0.320  0.00  0.00    +0.148 HD
BRANCH  17  21
ATOM     19  C   LIG    1        3.903  -0.476  -0.240  0.00  0.00    +0.101 C 
ATOM     20  C   LIG    1        3.549   1.038  -0.273  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1        2.134   0.655   0.207  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1        2.383  -0.738  -0.412  0.00  0.00    +0.037 C 
BRANCH  19  24
ATOM     23  O   LIG    1        5.788  -0.354  -1.833  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1        4.872  -0.996  -1.328  0.00  0.00    +0.308 C 
BRANCH  24  25
ATOM     25  O   LIG    1        4.641  -2.281  -1.708  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1        3.893  -2.696  -1.239  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  19  24
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 5