REMARK  Name = BDB018579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.118  -1.204   1.297  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1       -1.762  -1.769   1.468  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -1.650  -3.017   1.967  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -2.744  -3.784   2.324  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -2.513  -5.114   2.867  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -4.045  -3.322   2.190  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -5.054  -3.953   2.486  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -4.185  -1.954   1.638  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1       -4.106   3.982  -0.934  0.00  0.00    +0.152 C 
ATOM     10  N   LIG    1       -3.876   2.671  -0.350  0.00  0.00    -0.318 N 
ATOM     11  C   LIG    1       -4.155   2.466   0.997  0.00  0.00    +0.252 A 
ATOM     12  O   LIG    1       -4.605   3.314   1.764  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.876   1.102   1.521  0.00  0.00    +0.078 A 
ATOM     14  C   LIG    1       -3.389   0.128   0.728  0.00  0.00    -0.011 A 
ATOM     15  C   LIG    1       -3.139   0.443  -0.671  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -3.376   1.666  -1.156  0.00  0.00    +0.089 A 
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  C   LIG    1       -0.587  -1.024   1.120  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        0.441  -1.455   0.310  0.00  0.00    +0.123 A 
ATOM     19  N   LIG    1        1.371  -0.432   0.241  0.00  0.00    -0.238 N 
ATOM     20  N   LIG    1        0.971   0.621   0.984  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1       -0.200   0.265   1.511  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1        2.589  -0.400  -0.509  0.00  0.00    +0.083 A 
ATOM     23  C   LIG    1        3.540   0.646  -0.378  0.00  0.00    +0.081 A 
ATOM     24  C   LIG    1        4.719   0.652  -1.179  0.00  0.00    -0.025 A 
ATOM     25  C   LIG    1        4.928  -0.422  -2.062  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        4.006  -1.455  -2.184  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        2.844  -1.444  -1.419  0.00  0.00    +0.029 A 
BRANCH  24  28
ATOM     28  C   LIG    1        5.773   1.747  -1.079  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1        5.434   3.157  -1.510  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1        6.391   2.345  -2.324  0.00  0.00    +0.009 C 
ENDBRANCH  24  28
BRANCH  23  31
ATOM     31  C   LIG    1        3.416   1.713   0.587  0.00  0.00    +0.102 C 
ATOM     32  N   LIG    1        3.415   2.592   1.349  0.00  0.00    -0.191 NA
ENDBRANCH  23  31
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 5