REMARK  Name = BDB005634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.372  -0.693  -0.418  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.983   0.551  -0.120  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1       -1.142   1.631   0.217  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1       -1.689   2.873   0.557  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -1.092   3.646   0.817  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -3.026   3.132   0.598  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1       -3.934   2.025   0.211  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -5.412   2.325   0.221  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -6.247   1.270  -0.515  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -5.745  -0.137  -0.208  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1       -4.327  -0.198  -0.508  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -3.900  -1.125  -0.487  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1       -3.448   4.234   0.938  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        0.250   1.505   0.241  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        0.849   0.283  -0.068  0.00  0.00    -0.027 A 
ATOM     16  C   LIG    1       -3.453   0.814  -0.134  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        0.028  -0.809  -0.391  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -1.604  -2.971  -1.135  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -2.200  -1.756  -0.698  0.00  0.00    -0.494 OA
ENDBRANCH   1  19
BRANCH  15  20
ATOM     20  C   LIG    1        2.354   0.128  -0.052  0.00  0.00    +0.134 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.764  -0.830   0.981  0.00  0.00    -0.250 NA
ATOM     22  H   LIG    1        2.469  -0.488   1.899  0.00  0.00    +0.141 HD
BRANCH  21  23
ATOM     23  N   LIG    1        4.163  -1.188   0.972  0.00  0.00    -0.238 NA
ATOM     24  C   LIG    1        4.559  -2.042  -0.158  0.00  0.00    +0.130 C 
ATOM     25  C   LIG    1        5.596  -1.369  -1.069  0.00  0.00    +0.176 C 
ATOM     26  O   LIG    1        6.777  -0.940  -0.377  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1        6.538  -0.566   0.988  0.00  0.00    +0.176 C 
ATOM     28  C   LIG    1        5.100  -0.089   1.239  0.00  0.00    +0.130 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  15  20
TORSDOF 4