REMARK  Name = BDB026624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.876   0.256  -1.209  0.00  0.00    +0.239 C 
ATOM      2  N   LIG    1       -0.877   0.968  -0.567  0.00  0.00    -0.284 N 
ATOM      3  H   LIG    1       -1.163   1.793  -0.041  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.732  -0.789  -1.839  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.493   0.647  -0.483  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        1.299   1.493   0.287  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        2.670   1.248   0.423  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        3.275   0.152  -0.209  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        2.458  -0.687  -0.980  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        1.084  -0.445  -1.116  0.00  0.00    +0.024 A 
BRANCH   8  11
ATOM     11  C   LIG    1        4.718  -0.107  -0.069  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1        5.317  -0.198   1.199  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        6.687  -0.444   1.333  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        7.481  -0.603   0.200  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        6.907  -0.517  -1.066  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.537  -0.272  -1.198  0.00  0.00    +0.008 A 
ENDBRANCH   8  11
ENDBRANCH   2   5
BRANCH   1  17
ATOM     17  C   LIG    1       -3.243   0.905  -1.144  0.00  0.00    +0.243 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -4.400   0.549   1.120  0.00  0.00    +0.154 A 
ATOM     19  N   LIG    1       -3.627   1.220   0.208  0.00  0.00    -0.220 N 
ATOM     20  N   LIG    1       -3.156   2.357   0.758  0.00  0.00    -0.043 NA
ATOM     21  N   LIG    1       -3.637   2.375   1.989  0.00  0.00    -0.023 NA
ATOM     22  N   LIG    1       -4.405   1.268   2.228  0.00  0.00    -0.113 NA
BRANCH  18  24
ATOM     23  C   LIG    1       -6.336  -0.607   0.021  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1       -5.129  -0.748   0.945  0.00  0.00    +0.052 C 
ATOM     25  C   LIG    1       -4.221  -1.900   0.525  0.00  0.00    +0.015 C 
ENDBRANCH  18  24
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5