REMARK  Name = BDB025597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.424  -0.933   1.407  0.00  0.00    +0.198 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -1.594  -0.153   1.015  0.00  0.00    -0.232 N 
ATOM      3  C   LIG    1       -2.192   0.002  -0.212  0.00  0.00    +0.093 A 
ATOM      4  C   LIG    1       -3.228   0.897   0.051  0.00  0.00    +0.154 A 
ATOM      5  C   LIG    1       -4.088   1.319  -0.986  0.00  0.00    +0.149 A 
ATOM      6  C   LIG    1       -3.855   0.800  -2.270  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -2.813  -0.102  -2.511  0.00  0.00    +0.006 A 
ATOM      8  N   LIG    1       -3.214   1.227   1.382  0.00  0.00    -0.126 NA
ATOM      9  C   LIG    1       -1.958  -0.522  -1.488  0.00  0.00    +0.030 A 
ATOM     10  N   LIG    1       -2.218   0.576   1.963  0.00  0.00    -0.064 NA
BRANCH   5  11
ATOM     11  O   LIG    1       -5.083   2.202  -0.661  0.00  0.00    -0.493 OA
ATOM     12  C   LIG    1       -5.963   2.608  -1.700  0.00  0.00    +0.277 C 
ENDBRANCH   5  11
ENDBRANCH   1   2
BRANCH   1  15
ATOM     13  C   LIG    1        2.482   0.502  -0.681  0.00  0.00    +0.164 C 
ATOM     14  N   LIG    1        1.369   0.367   0.252  0.00  0.00    -0.286 N 
ATOM     15  C   LIG    1        0.694  -0.830   0.365  0.00  0.00    +0.241 C 
ATOM     16  O   LIG    1        0.998  -1.775  -0.368  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        1.155   1.606   0.996  0.00  0.00    +0.140 C 
ATOM     18  C   LIG    1        2.306   2.527   0.577  0.00  0.00    +0.134 C 
ATOM     19  C   LIG    1        2.682   2.008  -0.811  0.00  0.00    +0.065 C 
BRANCH  13  23
ATOM     20  C   LIG    1        5.876  -1.229  -0.698  0.00  0.00    +0.128 C 
ATOM     21  N   LIG    1        4.673  -0.531  -1.079  0.00  0.00    -0.317 N 
ATOM     22  H   LIG    1        4.316  -0.704  -2.011  0.00  0.00    +0.148 HD
ATOM     23  C   LIG    1        3.760  -0.150  -0.112  0.00  0.00    +0.233 C 
ATOM     24  O   LIG    1        3.982  -0.242   1.093  0.00  0.00    -0.274 OA
ENDBRANCH  13  23
BRANCH  18  25
ATOM     25  O   LIG    1        1.902   3.884   0.510  0.00  0.00    -0.390 OA
ATOM     26  H   LIG    1        2.687   4.415   0.289  0.00  0.00    +0.210 HD
ENDBRANCH  18  25
ENDBRANCH   1  15
BRANCH   1  27
ATOM     27  C   LIG    1       -0.804  -2.370   1.860  0.00  0.00    +0.016 C 
ATOM     28  C   LIG    1       -1.459  -3.250   0.792  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1        0.397  -3.096   2.478  0.00  0.00    +0.010 C 
ENDBRANCH   1  27
TORSDOF 6