REMARK  Name = BDB017207
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.376   0.678   0.358  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        0.132   0.067  -0.795  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        1.508   0.097  -1.090  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        2.400   0.753  -0.210  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        3.776   0.758  -0.525  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1        4.256   0.170  -1.698  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        3.372  -0.471  -2.558  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        1.877   1.371   0.941  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        2.010  -0.512  -2.254  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        0.509   1.334   1.220  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -2.201   1.365   1.667  0.00  0.00    -0.292 OA
ATOM     12  C   LIG    1       -1.833   0.677   0.714  0.00  0.00    +0.167 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.822  -0.145  -0.114  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -4.006  -0.646   0.749  0.00  0.00    +0.095 C 
ATOM     15  N   LIG    1       -5.322  -0.124   0.321  0.00  0.00    -0.301 NA
ATOM     16  C   LIG    1       -5.241   1.336   0.194  0.00  0.00    +0.084 C 
ATOM     17  C   LIG    1       -4.313   1.739  -0.956  0.00  0.00    +0.016 C 
ATOM     18  C   LIG    1       -3.292   0.662  -1.327  0.00  0.00    +0.014 C 
BRANCH  15  19
ATOM     19  C   LIG    1       -6.386  -0.488   1.270  0.00  0.00    +0.088 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -6.657  -1.966   1.235  0.00  0.00    +0.003 C 
ATOM     21  C   LIG    1       -8.074  -2.487   1.269  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -7.260  -2.611   0.012  0.00  0.00    +0.005 C 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  23
ATOM     23  O   LIG    1        4.663   1.404   0.301  0.00  0.00    -0.487 OA
BRANCH  23  24
ATOM     24  C   LIG    1        5.406   0.472   1.103  0.00  0.00    +0.264 C 
BRANCH  24  25
ATOM     25  C   LIG    1        6.826   0.333   0.607  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1        7.584   1.466   0.275  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        8.902   1.335  -0.165  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        9.479   0.071  -0.268  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        8.740  -1.062   0.068  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.421  -0.933   0.506  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   5  23
TORSDOF 7