REMARK  Name = BDB000942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.170  -0.852   0.878  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        0.906   0.128   0.258  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        0.551   1.030  -0.039  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.189  -0.328   0.099  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        2.169  -1.598   0.657  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        3.347  -2.358   0.672  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        4.514  -1.805   0.129  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.507  -0.523  -0.430  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.332   0.248  -0.471  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.917  -1.911   1.128  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  12
ATOM     11  N   LIG    1       -1.930   0.306   0.300  0.00  0.00    -0.290 NA
ATOM     12  C   LIG    1       -1.281  -0.666   1.206  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1       -1.453  -0.069   2.612  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1       -2.145   1.267   2.389  0.00  0.00    +0.017 C 
ATOM     15  C   LIG    1       -2.903   1.051   1.095  0.00  0.00    +0.085 C 
BRANCH  11  17
ATOM     16  C   LIG    1       -2.626   0.854  -1.988  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -2.414  -0.268  -0.964  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -3.682  -1.125  -0.864  0.00  0.00    +0.024 C 
ENDBRANCH  11  17
ENDBRANCH   1  12
BRANCH   9  19
ATOM     19  C   LIG    1        3.253   1.611  -1.055  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        2.287   2.337  -0.852  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1        4.275   2.021  -1.864  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        4.134   2.903  -2.341  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        4.938   1.379  -2.271  0.00  0.00    +0.145 HD
ENDBRANCH   9  19
TORSDOF 3