REMARK  Name = BDB025584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.948  -0.647   0.380  0.00  0.00    +0.166 C 
ATOM      2  N   LIG    1        0.657  -1.102  -0.986  0.00  0.00    -0.285 N 
ATOM      3  C   LIG    1       -0.343  -0.697  -1.855  0.00  0.00    +0.241 C 
ATOM      4  O   LIG    1       -0.578  -1.391  -2.850  0.00  0.00    -0.273 OA
ATOM      5  C   LIG    1        1.445  -2.282  -1.308  0.00  0.00    +0.153 C 
ATOM      6  C   LIG    1        2.526  -2.350  -0.233  0.00  0.00    +0.196 C 
ATOM      7  C   LIG    1        1.797  -1.772   0.979  0.00  0.00    +0.078 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        2.549   2.455   1.924  0.00  0.00    +0.128 C 
ATOM      9  N   LIG    1        1.921   1.177   1.702  0.00  0.00    -0.317 N 
ATOM     10  H   LIG    1        1.492   0.710   2.492  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1        1.699   0.699   0.426  0.00  0.00    +0.233 C 
ATOM     12  O   LIG    1        2.037   1.313  -0.582  0.00  0.00    -0.274 OA
ENDBRANCH   1  11
BRANCH   3  13
ATOM     13  C   LIG    1       -1.069   0.650  -1.621  0.00  0.00    +0.200 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -1.818   0.643  -0.370  0.00  0.00    -0.239 N 
ATOM     15  N   LIG    1       -2.554  -0.417   0.015  0.00  0.00    -0.065 NA
ATOM     16  N   LIG    1       -3.044  -0.152   1.219  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1       -2.610   1.087   1.583  0.00  0.00    +0.086 A 
ATOM     18  C   LIG    1       -1.822   1.617   0.594  0.00  0.00    +0.134 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -2.962   1.774   2.918  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -1.859   2.277   3.814  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1       -2.643   1.058   4.205  0.00  0.00    +0.010 C 
ENDBRANCH  17  19
ENDBRANCH  13  14
BRANCH  13  22
ATOM     22  C   LIG    1       -1.921   1.185  -2.837  0.00  0.00    -0.007 C 
ATOM     23  C   LIG    1       -2.463   2.603  -2.526  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1       -1.032   1.329  -4.093  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1       -3.131   0.292  -3.174  0.00  0.00    +0.013 C 
ENDBRANCH  13  22
ENDBRANCH   3  13
BRANCH   6  26
ATOM     26  O   LIG    1        2.933  -3.704  -0.020  0.00  0.00    -0.460 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.031  -3.864   0.768  0.00  0.00    +0.304 C 
ATOM     28  O   LIG    1        4.655  -2.960   1.305  0.00  0.00    -0.251 OA
ATOM     29  C   LIG    1        4.372  -5.317   0.886  0.00  0.00    +0.136 C 
ENDBRANCH  26  27
ENDBRANCH   6  26
TORSDOF 7