REMARK  Name = BDB023910
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.984   4.994   1.196  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        0.846   4.044   0.923  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        1.168   2.789   0.423  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        0.025   1.913   0.088  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1        0.479   0.502  -0.044  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.258  -0.705  -0.179  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1        0.566  -1.767  -0.213  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1        1.807  -1.247  -0.126  0.00  0.00    -0.267 N 
ATOM      9  C   LIG    1        1.801   0.111  -0.037  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        2.950   1.032   0.109  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        2.472   2.468  -0.198  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -0.313   4.391   1.155  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -1.701  -0.873  -0.227  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -2.446  -0.294  -1.279  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.839  -0.441  -1.269  0.00  0.00    +0.050 A 
ATOM     16  N   LIG    1       -4.317   0.216  -2.385  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -5.294   0.278  -2.636  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -3.288   0.751  -3.109  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1       -4.533  -1.148  -0.267  0.00  0.00    -0.027 A 
ATOM     20  C   LIG    1       -6.023  -1.330  -0.235  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1       -3.751  -1.735   0.744  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -2.118   0.446  -2.456  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1       -2.364  -1.603   0.768  0.00  0.00    +0.011 A 
ENDBRANCH   6  13
BRANCH   8  24
ATOM     24  C   LIG    1        2.959  -2.140  -0.133  0.00  0.00    +0.147 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.437  -2.452   1.256  0.00  0.00    +0.010 C 
ATOM     26  C   LIG    1        2.812  -3.572   2.049  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        4.214  -3.717   1.524  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH   8  24
TORSDOF 3