REMARK  Name = BDB014796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.549   0.581   0.090  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.895   1.440   0.497  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -7.333   1.753   0.621  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.836   1.915   0.674  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -5.061   0.794   0.405  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.604   0.974   0.559  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.861  -0.144  -0.079  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.469  -0.340  -0.292  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.253  -1.517  -0.892  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.471  -2.051  -1.081  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -2.580  -3.329  -1.741  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.467  -1.272  -0.587  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.926  -1.521  -0.590  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.586  -0.589   0.449  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -5.342   3.012   0.939  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        0.862   0.595  -0.001  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        1.553   1.726   0.467  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        2.950   1.803   0.410  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.702   0.747  -0.116  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1        3.020  -0.380  -0.586  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.621  -0.453  -0.527  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.167   0.826  -0.181  0.00  0.00    -0.015 A 
ATOM     23  C   LIG    1        5.997   0.271   0.818  0.00  0.00    -0.043 A 
ATOM     24  C   LIG    1        5.419  -0.441   2.013  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        7.393   0.373   0.693  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        7.966   1.022  -0.401  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.153   1.574  -1.385  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.766   1.476  -1.275  0.00  0.00    +0.009 A 
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 3