REMARK  Name = BDB002813
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.728  -0.515  -0.602  0.00  0.00    +0.075 C 
ATOM      2  C   LIG    1        0.282  -0.392  -1.744  0.00  0.00    +0.013 C 
ATOM      3  C   LIG    1        1.600   0.239  -1.286  0.00  0.00    +0.006 C 
ATOM      4  C   LIG    1        1.908   0.028   0.209  0.00  0.00    +0.011 C 
ATOM      5  C   LIG    1        1.353  -1.320   0.681  0.00  0.00    +0.006 C 
ATOM      6  C   LIG    1       -0.169  -1.409   0.518  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -2.557  -2.118  -0.839  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -2.073  -1.024  -1.113  0.00  0.00    +0.217 C 
ATOM      9  N   LIG    1       -2.721  -0.177  -1.973  0.00  0.00    -0.299 N 
ATOM     10  H   LIG    1       -2.364   0.767  -2.059  0.00  0.00    +0.150 HD
BRANCH   9  11
ATOM     11  CA  LIG    1       -4.124  -0.369  -2.366  0.00  0.00    +0.212 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.668   0.974  -2.835  0.00  0.00    -0.017 A 
ATOM     13  C   LIG    1       -5.493   1.732  -1.987  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -5.958   2.987  -2.385  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.599   3.503  -3.628  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.775   2.767  -4.476  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.307   1.513  -4.081  0.00  0.00    +0.006 A 
ENDBRANCH  11  12
BRANCH  11  18
ATOM     18  C   LIG    1       -4.372  -1.523  -3.380  0.00  0.00    +0.330 C 
ATOM     19  O   LIG    1       -5.191  -1.493  -4.290  0.00  0.00    -0.249 OA
BRANCH  18  20
ATOM     20  OXT LIG    1       -3.681  -2.662  -3.120  0.00  0.00    -0.479 OA
ATOM     21  HXT LIG    1       -3.204  -2.633  -2.256  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  11  18
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   4  22
ATOM     22  C   LIG    1        3.422   0.168   0.456  0.00  0.00    +0.152 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.764   0.212   1.873  0.00  0.00    -0.210 N 
ATOM     24  C   LIG    1        4.310  -0.894   2.498  0.00  0.00    +0.278 A 
ATOM     25  O   LIG    1        4.551  -1.964   1.946  0.00  0.00    -0.265 OA
ATOM     26  C   LIG    1        4.595  -0.728   3.920  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1        4.280   0.503   4.471  0.00  0.00    +0.100 A 
ATOM     28  C   LIG    1        4.536   0.705   5.833  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1        5.094  -0.311   6.616  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        5.403  -1.544   6.042  0.00  0.00    +0.001 A 
ATOM     31  N   LIG    1        3.720   1.547   3.727  0.00  0.00    -0.131 NA
ATOM     32  C   LIG    1        5.154  -1.757   4.688  0.00  0.00    +0.015 A 
ATOM     33  N   LIG    1        3.485   1.388   2.511  0.00  0.00    -0.062 NA
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 7