REMARK  Name = BDB051676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -8.030   1.380   0.065  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -6.820   1.205  -0.000  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -6.226  -0.151  -0.162  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -4.847  -0.308  -0.397  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -4.313  -1.605  -0.496  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -2.834  -1.762  -0.703  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -2.097  -0.649   0.042  0.00  0.00    +0.113 C 
ATOM      8  N   LIG    1       -2.526   0.685  -0.396  0.00  0.00    -0.289 N 
ATOM      9  C   LIG    1       -1.652   1.697  -0.793  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1       -2.018   2.688  -1.420  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -5.156  -2.719  -0.408  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -6.524  -2.552  -0.194  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.970   0.918  -0.611  0.00  0.00    +0.125 C 
ATOM     14  C   LIG    1       -4.517   2.063   0.270  0.00  0.00    +0.131 C 
ATOM     15  C   LIG    1       -7.059  -1.271  -0.064  0.00  0.00    +0.013 A 
ATOM     16  N   LIG    1       -5.942   2.257   0.084  0.00  0.00    -0.309 N 
ATOM     17  H   LIG    1       -6.365   3.152   0.300  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -0.217   1.606  -0.438  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        0.181   1.415   0.892  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1        1.540   1.368   1.208  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1        2.496   1.516   0.195  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        2.097   1.761  -1.125  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1        0.738   1.804  -1.442  0.00  0.00    +0.014 A 
BRANCH  21  24
ATOM     24  C   LIG    1        3.930   1.509   0.560  0.00  0.00    +0.247 C 
ATOM     25  N   LIG    1        4.814   0.685  -0.144  0.00  0.00    -0.296 N 
ATOM     26  C   LIG    1        6.233   0.791   0.206  0.00  0.00    +0.123 C 
ATOM     27  C   LIG    1        6.590  -0.033   1.454  0.00  0.00    +0.100 C 
ATOM     28  N   LIG    1        6.849  -1.464   1.263  0.00  0.00    -0.314 NA
ATOM     29  H   LIG    1        6.741  -1.933   2.162  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1        6.084  -2.163   0.238  0.00  0.00    +0.082 C 
ATOM     31  C   LIG    1        4.610  -1.789   0.080  0.00  0.00    +0.034 C 
ATOM     32  C   LIG    1        4.408  -0.555  -0.801  0.00  0.00    +0.109 C 
ATOM     33  O   LIG    1        4.282   2.253   1.474  0.00  0.00    -0.270 OA
ENDBRANCH  21  24
ENDBRANCH   9  18
TORSDOF 2