REMARK  Name = BDB000939
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.021  -0.282  -0.607  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -2.975   0.452  -0.032  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1       -3.175   1.506   0.849  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1       -1.977   2.038   1.263  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -1.054   1.333   0.643  0.00  0.00    +0.114 A 
ATOM      6  C   LIG    1       -4.483   1.879   1.188  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -5.553   1.178   0.617  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -1.611   0.365  -0.151  0.00  0.00    -0.341 N 
ATOM      9  H   LIG    1       -1.108  -0.293  -0.736  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -5.326   0.118  -0.268  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -4.712  -2.281  -1.831  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -4.436  -3.096  -2.365  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -5.555  -2.354  -1.282  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -3.711  -1.400  -1.531  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -2.584  -1.556  -1.988  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  C   LIG    1        0.482   1.585   0.802  0.00  0.00    +0.083 C 
ATOM     17  C   LIG    1        1.282   1.623  -0.522  0.00  0.00    +0.097 C 
ATOM     18  N   LIG    1        1.533   0.173  -0.351  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        1.324   0.322   1.107  0.00  0.00    +0.097 C 
BRANCH  18  20
ATOM     20  C   LIG    1        2.876  -0.230  -0.759  0.00  0.00    +0.057 C 
ATOM     21  C   LIG    1        4.128   0.460  -0.204  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1        5.257  -0.468  -0.644  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1        4.656  -1.874  -0.662  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1        3.153  -1.703  -0.439  0.00  0.00    +0.019 C 
ENDBRANCH  18  20
ENDBRANCH   5  16
TORSDOF 3