REMARK  Name = BDB044023
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.267  -0.581   2.802  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        1.782  -0.409   1.691  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1        2.608  -0.295   0.479  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1        1.946  -0.057  -0.727  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        2.707   0.059  -1.892  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        4.100  -0.060  -1.848  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        4.746  -0.296  -0.634  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        0.549   0.069  -0.813  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1       -0.150  -0.062   0.270  0.00  0.00    +0.141 A 
ATOM     10  C   LIG    1        4.000  -0.414   0.538  0.00  0.00    +0.015 A 
ATOM     11  N   LIG    1        0.428  -0.301   1.498  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1       -0.121  -0.331   2.343  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -1.632   0.060   0.236  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1       -2.452  -0.611   1.154  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -3.840  -0.465   1.085  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1       -4.404   0.339   0.101  0.00  0.00    +0.117 A 
ATOM     17  C   LIG    1       -3.605   1.000  -0.826  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -2.217   0.856  -0.760  0.00  0.00    +0.015 A 
BRANCH  16  19
ATOM     19  O   LIG    1       -5.762   0.449   0.075  0.00  0.00    -0.507 OA
ATOM     20  H   LIG    1       -6.015   1.022  -0.667  0.00  0.00    +0.292 HD
ENDBRANCH  16  19
ENDBRANCH   9  13
TORSDOF 2