REMARK  Name = BDB006077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -7.481  -1.273   1.110  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -6.342  -1.152   0.672  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -5.597   0.105   0.829  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -4.319   0.169   0.307  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -3.521   1.318   0.413  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1       -2.206   1.396  -0.109  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -1.752   0.328  -0.710  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1       -2.499  -0.819  -0.857  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1       -2.030  -1.613  -1.284  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -4.062   2.425   1.069  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -5.359   2.378   1.601  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -3.763  -1.003  -0.379  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1       -4.422  -2.116  -0.511  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1       -6.130   1.216   1.483  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -5.686  -2.170   0.012  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1       -6.186  -3.046  -0.106  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1       -0.346   0.349  -1.311  0.00  0.00    +0.158 C 
BRANCH  17  18
ATOM     18  N   LIG    1        0.241  -1.009  -1.260  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        1.369  -1.139  -2.197  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1        2.626  -0.374  -1.775  0.00  0.00    +0.023 C 
ATOM     21  C   LIG    1        3.067  -0.791  -0.365  0.00  0.00    +0.021 C 
ATOM     22  C   LIG    1        1.899  -0.663   0.623  0.00  0.00    +0.023 C 
ATOM     23  C   LIG    1        0.657  -1.393   0.103  0.00  0.00    +0.085 C 
BRANCH  21  24
ATOM     24  C   LIG    1        4.295  -0.027   0.097  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1        4.277   1.366   0.267  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.419   2.047   0.692  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.594   1.347   0.954  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.627  -0.036   0.790  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.486  -0.719   0.365  0.00  0.00    +0.004 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 3