REMARK  Name = BDB020923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.261  -1.029   3.056  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.141  -0.714   1.872  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -1.092  -0.671   1.242  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1       -1.298  -0.325  -0.170  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -2.676  -0.752  -0.713  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1       -3.767  -0.226   0.120  0.00  0.00    -0.327 N 
ATOM      7  C   LIG    1       -3.505  -0.079   1.565  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1       -2.305  -0.928   2.024  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -5.052  -0.068  -0.380  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -6.003   0.732   0.277  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -7.301   0.905  -0.219  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -7.686   0.278  -1.397  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -6.770  -0.517  -2.075  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -5.473  -0.682  -1.571  0.00  0.00    +0.023 A 
ENDBRANCH   6   9
BRANCH   2  15
ATOM     15  C   LIG    1        1.352  -0.379   1.020  0.00  0.00    +0.103 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.618  -0.251   1.861  0.00  0.00    +0.083 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.809  -0.091   0.954  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1        4.467  -1.243   0.618  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        4.187  -2.135   1.001  0.00  0.00    +0.170 HD
ATOM     20  C   LIG    1        5.557  -1.271  -0.214  0.00  0.00    +0.259 A 
ATOM     21  O   LIG    1        6.135  -2.314  -0.495  0.00  0.00    -0.267 OA
ATOM     22  C   LIG    1        5.982   0.033  -0.748  0.00  0.00    +0.065 A 
ATOM     23  C   LIG    1        5.245   1.157  -0.361  0.00  0.00    +0.078 A 
ATOM     24  C   LIG    1        5.627   2.406  -0.853  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        6.723   2.527  -1.713  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        7.448   1.395  -2.091  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        7.079   0.141  -1.608  0.00  0.00    +0.015 A 
ATOM     28  N   LIG    1        4.137   1.075   0.500  0.00  0.00    -0.234 NA
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 4