REMARK  Name = BDB025578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.293  -0.531   1.311  0.00  0.00    +0.197 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        3.011   0.241  -0.622  0.00  0.00    +0.164 C 
ATOM      3  N   LIG    1        1.591   0.216  -0.251  0.00  0.00    -0.286 N 
ATOM      4  C   LIG    1        1.185  -0.306   0.956  0.00  0.00    +0.241 C 
ATOM      5  O   LIG    1        2.051  -0.697   1.754  0.00  0.00    -0.273 OA
ATOM      6  C   LIG    1        0.811   0.956  -1.241  0.00  0.00    +0.140 C 
ATOM      7  C   LIG    1        1.770   1.252  -2.403  0.00  0.00    +0.134 C 
ATOM      8  C   LIG    1        2.967   0.343  -2.141  0.00  0.00    +0.065 C 
BRANCH   2  12
ATOM      9  C   LIG    1        4.441   2.415   2.164  0.00  0.00    +0.128 C 
ATOM     10  N   LIG    1        3.931   1.323   1.378  0.00  0.00    -0.317 N 
ATOM     11  H   LIG    1        3.399   0.592   1.852  0.00  0.00    +0.148 HD
ATOM     12  C   LIG    1        3.740   1.445   0.018  0.00  0.00    +0.233 C 
ATOM     13  O   LIG    1        4.115   2.419  -0.631  0.00  0.00    -0.274 OA
ENDBRANCH   2  12
BRANCH   7  14
ATOM     14  O   LIG    1        1.177   0.930  -3.654  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1        1.812   1.191  -4.345  0.00  0.00    +0.210 HD
ENDBRANCH   7  14
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -0.837  -1.914   0.851  0.00  0.00    +0.025 C 
ATOM     17  C   LIG    1       -0.648  -2.249  -0.635  0.00  0.00    +0.021 C 
ATOM     18  C   LIG    1       -1.317  -3.583  -0.997  0.00  0.00    +0.081 C 
ATOM     19  N   LIG    1       -1.347  -4.551   0.099  0.00  0.00    -0.316 NA
ATOM     20  H   LIG    1       -1.386  -5.497  -0.281  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -0.203  -4.408   0.985  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -0.258  -3.064   1.716  0.00  0.00    +0.021 C 
ENDBRANCH   1  16
BRANCH   1  23
ATOM     23  N   LIG    1       -1.138   0.623   1.037  0.00  0.00    -0.239 N 
ATOM     24  N   LIG    1       -0.839   1.806   1.617  0.00  0.00    -0.065 NA
ATOM     25  N   LIG    1       -1.761   2.684   1.247  0.00  0.00    -0.134 NA
ATOM     26  C   LIG    1       -2.665   2.031   0.467  0.00  0.00    +0.086 A 
ATOM     27  C   LIG    1       -2.297   0.717   0.321  0.00  0.00    +0.134 A 
BRANCH  26  28
ATOM     28  C   LIG    1       -3.908   2.690  -0.165  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1       -4.808   3.528   0.705  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -5.281   2.193   0.210  0.00  0.00    +0.010 C 
ENDBRANCH  26  28
ENDBRANCH   1  23
TORSDOF 6