REMARK  Name = BDB023864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.769   5.273   1.816  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -1.477   4.523   1.614  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -1.536   3.135   1.622  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.239   2.439   1.499  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.447   1.005   1.162  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.476  -0.001   0.775  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -0.156  -1.165   0.547  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -1.462  -0.902   0.757  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -1.677   0.382   1.152  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.961   1.056   1.455  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -2.664   2.374   2.203  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -0.425   5.141   1.442  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.923   0.118   0.611  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        2.565  -0.205  -0.604  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1        1.802  -0.712  -1.807  0.00  0.00    +0.132 C 
ATOM     16  C   LIG    1        2.493  -0.537  -3.151  0.00  0.00    +0.220 C 
ATOM     17  N   LIG    1        3.849  -0.238  -3.142  0.00  0.00    -0.300 N 
ATOM     18  C   LIG    1        4.646  -0.528  -1.964  0.00  0.00    +0.142 C 
ATOM     19  C   LIG    1        4.548  -0.182  -4.412  0.00  0.00    +0.132 C 
ATOM     20  O   LIG    1        1.855  -0.673  -4.197  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1        3.964  -0.101  -0.696  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1        4.711   0.332   0.406  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.075   0.668   1.598  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        2.690   0.558   1.701  0.00  0.00    +0.010 A 
ENDBRANCH   6  13
BRANCH   8  25
ATOM     25  C   LIG    1       -2.449  -1.944   0.508  0.00  0.00    +0.112 C 
ATOM     26  C   LIG    1       -2.628  -2.200  -0.996  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1       -3.113  -3.618  -1.265  0.00  0.00    +0.162 C 
ATOM     28  O   LIG    1       -3.954  -4.046  -0.198  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1       -3.226  -4.276   1.011  0.00  0.00    +0.162 C 
ATOM     30  C   LIG    1       -2.130  -3.242   1.251  0.00  0.00    +0.055 C 
ENDBRANCH   8  25
TORSDOF 2