REMARK  Name = BDB001749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.923   0.372  -1.648  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1        0.395  -0.205  -0.493  0.00  0.00    -0.166 N 
ATOM      3  C   LIG    1       -0.926  -0.461  -0.080  0.00  0.00    +0.255 C 
ATOM      4  O   LIG    1       -1.125  -1.104   0.947  0.00  0.00    -0.270 OA
ATOM      5  N   LIG    1        1.430  -0.520   0.341  0.00  0.00    -0.141 NA
ATOM      6  C   LIG    1        2.497  -0.021  -0.289  0.00  0.00    +0.185 A 
ATOM      7  N   LIG    1        2.213   0.537  -1.510  0.00  0.00    -0.193 NA
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        3.849  -0.070   0.243  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        4.127  -0.658   1.473  0.00  0.00    +0.122 A 
ATOM     10  N   LIG    1        5.367  -0.735   2.023  0.00  0.00    -0.263 NA
ATOM     11  C   LIG    1        6.379  -0.197   1.311  0.00  0.00    +0.111 A 
ATOM     12  C   LIG    1        6.213   0.412   0.079  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        4.929   0.475  -0.460  0.00  0.00    +0.014 A 
ENDBRANCH   6   8
BRANCH   1  14
ATOM     14  N   LIG    1        0.238   0.710  -2.767  0.00  0.00    -0.327 N 
ATOM     15  H   LIG    1       -0.273  -0.040  -3.229  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1        0.855   1.126  -3.468  0.00  0.00    +0.145 HD
ENDBRANCH   1  14
BRANCH   3  17
ATOM     17  C   LIG    1       -1.999   0.102  -0.981  0.00  0.00    +0.136 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.393   0.019  -0.399  0.00  0.00    -0.038 A 
ATOM     19  C   LIG    1       -4.145  -1.158  -0.516  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -5.429  -1.235   0.026  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.971  -0.139   0.695  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.229   1.033   0.826  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.944   1.112   0.285  0.00  0.00    +0.004 A 
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 4