REMARK  Name = BDB013125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.921  -0.102  -0.774  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1       -1.050  -0.805  -1.646  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.132  -1.645  -1.065  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.507  -2.258  -2.102  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.078  -1.765  -3.243  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.006  -1.787   0.320  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.823  -1.168   1.118  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.907  -0.845  -2.954  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.768  -0.337   0.548  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -4.449  -1.026  -2.110  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -4.163   0.421  -1.823  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -2.973   0.835  -1.207  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -2.795   2.209  -0.990  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -3.781   3.110  -1.380  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -4.922   2.609  -1.976  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1       -5.135   1.295  -2.200  0.00  0.00    -0.260 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1        0.987  -2.588   0.866  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        0.798  -2.647   1.867  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.404  -2.279   0.685  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.804  -1.058   1.469  0.00  0.00    -0.024 A 
ATOM     21  C   LIG    1        2.928   0.201   0.886  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        2.684   0.652  -0.506  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1        3.330   2.035  -0.439  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        3.338   2.479   0.936  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        3.266   1.311   1.651  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        3.488   1.232   3.010  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        3.376  -0.018   3.615  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        3.039  -1.151   2.855  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4