REMARK  Name = BDB016157
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.896  -1.401  -0.518  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1        1.612  -0.162  -0.595  0.00  0.00    +0.058 A 
ATOM      3  N   LIG    1        0.850   1.001  -0.780  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.036   0.785  -1.240  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1        1.400   2.262  -1.243  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1        2.363   2.828  -0.230  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1        3.724   2.222  -0.302  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1        3.901   0.880  -0.332  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1        4.888   0.655  -0.281  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        4.728   2.941  -0.272  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        1.905   2.186  -2.682  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1        3.008  -0.209  -0.385  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        3.647  -1.458  -0.221  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        2.936  -2.654  -0.207  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        1.560  -2.624  -0.345  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  24
ATOM     16  N   LIG    1       -1.446  -1.294   0.416  0.00  0.00    -0.338 N 
ATOM     17  C   LIG    1       -2.753  -1.355  -0.038  0.00  0.00    +0.050 A 
ATOM     18  C   LIG    1       -2.699  -1.581  -1.414  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -3.902  -1.692  -2.139  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1       -5.124  -1.573  -1.469  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -5.157  -1.346  -0.097  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -1.329  -1.648  -1.776  0.00  0.00    +0.036 A 
ATOM     23  C   LIG    1       -3.976  -1.234   0.643  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1       -0.567  -1.452  -0.639  0.00  0.00    +0.052 A 
BRANCH  16  25
ATOM     25  C   LIG    1       -1.074  -1.116   1.811  0.00  0.00    +0.150 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.015   0.347   2.229  0.00  0.00    +0.181 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -0.709   1.758   4.093  0.00  0.00    +0.194 C 
ATOM     28  O   LIG    1       -0.832   0.413   3.647  0.00  0.00    -0.381 OA
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  16  25
ENDBRANCH   1  24
TORSDOF 4