REMARK  Name = BDB013847
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.538  -0.556  -0.223  0.00  0.00    -0.338 N 
ATOM      2  H   LIG    1        0.289  -0.227   0.716  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.876  -0.248  -0.516  0.00  0.00    +0.060 A 
ATOM      4  C   LIG    1        2.826   0.005   0.493  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1        4.177   0.198   0.172  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1        4.556   0.133  -1.153  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        3.695  -0.119  -2.154  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1        2.398  -0.321  -1.811  0.00  0.00    +0.134 A 
BRANCH   4   9
ATOM      9  C   LIG    1        2.495   0.100   1.938  0.00  0.00    +0.339 C 
ATOM     10  O   LIG    1        3.292   0.008   2.854  0.00  0.00    -0.245 OA
BRANCH   9  11
ATOM     11  O   LIG    1        1.198   0.374   2.182  0.00  0.00    -0.477 OA
ATOM     12  H   LIG    1        1.157   0.403   3.163  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   4   9
ENDBRANCH   1   3
BRANCH   1  13
ATOM     13  C   LIG    1       -0.491  -0.225  -1.205  0.00  0.00    +0.138 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -2.381   0.800   0.178  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1       -1.852  -0.285  -0.548  0.00  0.00    -0.010 A 
ATOM     16  C   LIG    1       -2.594  -1.478  -0.643  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1       -3.872  -1.571  -0.094  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.428  -0.470   0.547  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -3.692   0.710   0.665  0.00  0.00    +0.023 A 
BRANCH  14  20
ATOM     20  N   LIG    1       -1.718   2.036   0.253  0.00  0.00    -0.358 N 
ATOM     21  H   LIG    1       -0.704   1.959   0.263  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1       -2.051   2.630   1.006  0.00  0.00    +0.142 HD
ENDBRANCH  14  20
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 6