REMARK  Name = BDB054393
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.610  -0.028   0.525  0.00  0.00    +0.134 A 
ATOM      2  C   LIG    1       -3.764  -1.020  -0.000  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -2.507  -0.645  -0.503  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -2.079   0.699  -0.492  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -2.928   1.687   0.033  0.00  0.00    +0.078 A 
ATOM      6  N   LIG    1       -2.587   2.986   0.075  0.00  0.00    -0.255 NA
ATOM      7  C   LIG    1       -1.385   3.354  -0.419  0.00  0.00    +0.115 A 
ATOM      8  C   LIG    1       -0.476   2.470  -0.959  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -0.826   1.124  -0.975  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1       -4.169   1.306   0.528  0.00  0.00    +0.074 A 
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -4.089  -2.481  -0.069  0.00  0.00    +0.245 C 
ATOM     12  O   LIG    1       -3.273  -3.301  -0.475  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -5.325  -2.892   0.331  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -5.536  -3.880   0.308  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -6.004  -2.241   0.707  0.00  0.00    +0.145 HD
ENDBRANCH   2  11
BRANCH   1  17
ATOM     16  C   LIG    1       -6.685   0.588   1.558  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -5.832  -0.416   1.016  0.00  0.00    -0.494 OA
ENDBRANCH   1  17
BRANCH   9  18
ATOM     18  O   LIG    1        0.024   0.193  -1.537  0.00  0.00    -0.455 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.292   0.103  -1.008  0.00  0.00    +0.129 A 
ATOM     20  C   LIG    1        2.338  -0.059  -1.914  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1        3.665  -0.185  -1.470  0.00  0.00    -0.014 A 
ATOM     22  C   LIG    1        3.951  -0.183  -0.081  0.00  0.00    -0.006 A 
ATOM     23  C   LIG    1        5.308  -0.327   0.314  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1        6.337  -0.414  -0.634  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        6.036  -0.406  -1.991  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        2.865  -0.017   0.814  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        4.709  -0.304  -2.403  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        1.550   0.112   0.359  0.00  0.00    +0.047 A 
BRANCH  23  29
ATOM     29  C   LIG    1        5.733  -0.411   1.731  0.00  0.00    +0.242 C 
ATOM     30  O   LIG    1        6.628   0.294   2.176  0.00  0.00    -0.270 OA
ATOM     31  N   LIG    1        5.129  -1.374   2.489  0.00  0.00    -0.325 N 
ATOM     32  H   LIG    1        5.508  -1.537   3.413  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1        4.545  -2.090   2.077  0.00  0.00    +0.145 HD
ENDBRANCH  23  29
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 5