REMARK  Name = BDB048250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.341  -3.019  -1.706  0.00  0.00    -0.246 OA
ATOM      2  C   LIG    1       -1.020  -2.206  -1.101  0.00  0.00    +0.334 A 
ATOM      3  N   LIG    1       -0.675  -0.987  -0.456  0.00  0.00    -0.230 N 
ATOM      4  C   LIG    1       -1.837  -0.412   0.097  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1       -2.892  -1.297  -0.164  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -4.192  -1.066   0.230  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1       -4.440   0.129   0.904  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -3.401   1.044   1.134  0.00  0.00    +0.119 A 
ATOM      9  C   LIG    1       -2.085   0.793   0.729  0.00  0.00    +0.073 A 
ATOM     10  N   LIG    1       -2.404  -2.376  -0.885  0.00  0.00    -0.306 N 
ATOM     11  H   LIG    1       -2.918  -3.168  -1.235  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        0.617  -0.521  -0.403  0.00  0.00    +0.218 A 
ATOM     13  N   LIG    1        1.064   0.399   0.516  0.00  0.00    -0.323 N 
ATOM     14  H   LIG    1        0.533   0.763   1.287  0.00  0.00    +0.169 HD
ATOM     15  C   LIG    1        2.396   0.638   0.304  0.00  0.00    +0.068 A 
ATOM     16  C   LIG    1        2.720  -0.197  -0.755  0.00  0.00    +0.091 A 
ATOM     17  C   LIG    1        4.035  -0.215  -1.238  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1        4.984   0.615  -0.628  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        4.630   1.442   0.441  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.321   1.471   0.937  0.00  0.00    +0.028 A 
ATOM     21  N   LIG    1        1.622  -0.909  -1.161  0.00  0.00    -0.212 NA
ENDBRANCH   3  12
BRANCH   8  22
ATOM     22  O   LIG    1       -3.736   2.208   1.765  0.00  0.00    -0.507 OA
ATOM     23  H   LIG    1       -2.967   2.801   1.789  0.00  0.00    +0.292 HD
ENDBRANCH   8  22
TORSDOF 2