REMARK  Name = BDB000944
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.592  -0.143   1.711  0.00  0.00    +0.113 A 
ATOM      2  N   LIG    1       -1.136  -0.431   0.482  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1       -0.629  -0.445  -0.397  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -2.477  -0.678   0.648  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -2.665  -0.591   2.024  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -3.932  -0.849   2.567  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -4.982  -1.194   1.708  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -4.778  -1.261   0.326  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -3.520  -0.991  -0.234  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -1.499  -0.242   2.659  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1        2.268   0.271   0.005  0.00  0.00    -0.302 NA
ATOM     12  C   LIG    1        1.825  -0.619   1.093  0.00  0.00    +0.095 C 
ATOM     13  C   LIG    1        0.841   0.240   1.901  0.00  0.00    +0.070 C 
ATOM     14  C   LIG    1        1.105   1.674   1.446  0.00  0.00    +0.028 C 
ATOM     15  C   LIG    1        2.397   1.586   0.651  0.00  0.00    +0.085 C 
BRANCH  11  16
ATOM     16  C   LIG    1        3.520  -0.198  -0.601  0.00  0.00    +0.084 C 
BRANCH  16  18
ATOM     17  C   LIG    1        2.999   0.686  -2.937  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1        3.993   0.659  -1.788  0.00  0.00    +0.012 C 
ENDBRANCH  16  18
ENDBRANCH  11  16
ENDBRANCH   1  13
BRANCH   9  19
ATOM     19  C   LIG    1       -3.346  -1.049  -1.701  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1       -4.026  -1.788  -2.403  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1       -2.430  -0.188  -2.248  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1       -2.239   0.680  -1.767  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -2.479  -0.128  -3.258  0.00  0.00    +0.145 HD
ENDBRANCH   9  19
TORSDOF 4