REMARK  Name = BDB022357
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.591   0.557   0.255  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        0.217   0.453  -0.012  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -0.585   1.575  -0.314  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -2.049   1.448  -0.558  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.696   2.538  -0.992  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1       -2.065   3.862  -1.154  0.00  0.00    +0.253 A 
ATOM      7  N   LIG    1       -0.730   3.973  -0.807  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -0.099   5.278  -0.923  0.00  0.00    +0.152 C 
ATOM      9  O   LIG    1       -2.760   4.791  -1.563  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1        0.035   2.836  -0.408  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1        1.408   2.945  -0.134  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        2.171   1.821   0.195  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        2.325  -0.616   0.513  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        1.757  -1.361   0.909  0.00  0.00    +0.152 HD
BRANCH  13  18
ATOM     15  C   LIG    1        6.468  -3.102   1.797  0.00  0.00    +0.067 C 
ATOM     16  C   LIG    1        5.708  -2.119   0.950  0.00  0.00    +0.057 A 
ATOM     17  C   LIG    1        4.344  -1.868   1.149  0.00  0.00    +0.094 A 
ATOM     18  C   LIG    1        3.689  -0.934   0.321  0.00  0.00    +0.052 A 
ATOM     19  C   LIG    1        4.448  -0.295  -0.664  0.00  0.00    +0.044 A 
ATOM     20  C   LIG    1        5.790  -0.604  -0.795  0.00  0.00    +0.113 A 
ATOM     21  N   LIG    1        6.431  -1.494  -0.013  0.00  0.00    -0.259 NA
BRANCH  17  22
ATOM     22  C   LIG    1        3.631  -2.556   2.182  0.00  0.00    +0.103 C 
ATOM     23  N   LIG    1        3.031  -3.121   3.000  0.00  0.00    -0.191 NA
ENDBRANCH  17  22
ENDBRANCH  13  18
ENDBRANCH   1  13
BRANCH   4  24
ATOM     24  N   LIG    1       -2.653   0.221  -0.326  0.00  0.00    -0.334 N 
ATOM     25  H   LIG    1       -2.173  -0.388   0.335  0.00  0.00    +0.147 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -4.086  -0.116  -0.364  0.00  0.00    +0.135 C 
ATOM     27  C   LIG    1       -4.802   0.465   0.855  0.00  0.00    +0.036 C 
BRANCH  26  28
ATOM     28  C   LIG    1       -4.270  -1.637  -0.360  0.00  0.00    +0.149 A 
ATOM     29  N   LIG    1       -3.413  -2.374   0.391  0.00  0.00    -0.238 NA
ATOM     30  C   LIG    1       -3.614  -3.705   0.396  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1       -4.624  -4.323  -0.300  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1       -5.446  -3.490  -1.022  0.00  0.00    +0.114 A 
ATOM     33  N   LIG    1       -5.298  -2.153  -1.066  0.00  0.00    -0.238 NA
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH   4  24
TORSDOF 6