REMARK  Name = BDB027603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.795   0.460   0.529  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.741   1.860   0.636  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        0.437   2.451   0.179  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        0.506   3.832   0.289  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -0.461   4.646   0.788  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -1.590   4.045   1.202  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.454   1.749  -0.342  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.299   0.419  -0.427  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -1.777   2.676   1.148  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.212  -0.248  -0.007  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.400  -0.367  -1.015  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        3.590   0.241  -1.443  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        4.598  -0.540  -1.990  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        4.511  -1.876  -2.142  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        3.366  -2.456  -1.732  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        2.306  -1.758  -1.174  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.945  -0.220   0.991  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1       -2.074   0.031   1.969  0.00  0.00    +0.148 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -2.363  -2.015  -0.641  0.00  0.00    +0.027 C 
ATOM     20  C   LIG    1       -1.977  -1.676   0.800  0.00  0.00    +0.066 C 
ATOM     21  C   LIG    1       -3.019  -2.264   1.756  0.00  0.00    +0.027 C 
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 3