REMARK  Name = BDB000943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.116  -0.333  -1.053  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        0.921   0.103  -0.030  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        0.648   0.759   0.694  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.144  -0.506  -0.147  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        2.018  -1.301  -1.279  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        3.112  -2.069  -1.701  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        4.305  -2.003  -0.970  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.405  -1.197   0.170  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.314  -0.432   0.619  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.762  -1.189  -1.824  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  12
ATOM     11  N   LIG    1       -1.878   0.586   0.070  0.00  0.00    -0.290 NA
ATOM     12  C   LIG    1       -1.293   0.152  -1.217  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1       -1.343   1.399  -2.113  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1       -1.904   2.499  -1.225  0.00  0.00    +0.017 C 
ATOM     15  C   LIG    1       -2.735   1.734  -0.214  0.00  0.00    +0.085 C 
BRANCH  11  17
ATOM     16  C   LIG    1       -3.814  -1.037   0.360  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -2.471  -0.496   0.867  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -2.611  -0.042   2.324  0.00  0.00    +0.024 C 
ENDBRANCH  11  17
ENDBRANCH   1  12
BRANCH   9  19
ATOM     19  C   LIG    1        3.349   0.438   1.821  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        2.471   1.266   2.036  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1        4.372   0.261   2.710  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        4.301   0.784   3.574  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        4.948  -0.567   2.719  0.00  0.00    +0.145 HD
ENDBRANCH   9  19
TORSDOF 3