REMARK  Name = BDB028463
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.404  -0.494   0.952  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -0.498  -0.456   0.111  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -1.845  -0.416   0.444  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1       -2.940  -0.245  -0.520  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1       -4.239  -0.894  -0.063  0.00  0.00    +0.063 C 
ATOM      6  C   LIG    1       -4.607  -0.469   1.359  0.00  0.00    +0.176 C 
ATOM      7  C   LIG    1       -3.442  -0.822   2.291  0.00  0.00    +0.063 C 
ATOM      8  C   LIG    1       -2.162  -0.143   1.841  0.00  0.00    +0.113 C 
ATOM      9  N   LIG    1       -0.229  -0.482  -1.235  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -0.815   0.101  -1.795  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   6  11
ATOM     11  O   LIG    1       -5.748  -1.193   1.819  0.00  0.00    -0.489 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -6.997  -0.726   1.561  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -7.318   0.333   0.710  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1       -8.651   0.702   0.523  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -9.669   0.006   1.184  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -9.357  -1.057   2.030  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -8.026  -1.409   2.222  0.00  0.00    +0.045 A 
ENDBRANCH  11  12
ENDBRANCH   6  11
BRANCH   9  18
ATOM     18  C   LIG    1        1.156  -0.515  -1.690  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.738   0.907  -1.819  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  O   LIG    1        0.966   1.589  -2.846  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        1.152   1.127  -3.687  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        3.235   0.918  -2.229  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.239   0.951  -1.151  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        5.591   1.120  -1.724  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        6.765   0.549  -0.930  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.577  -0.032   0.332  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.676  -0.520   1.060  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        8.962  -0.467   0.524  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        9.162   0.103  -0.732  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.180  -0.086   0.904  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        8.072   0.619  -1.452  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.138  -0.173  -0.224  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 7