REMARK  Name = BDB015871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.340   1.861   0.647  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.360   0.776   0.264  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.666   0.922  -0.044  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -2.285   2.171  -0.003  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -1.481   3.215   0.421  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1       -0.178   3.095   0.750  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.747   0.212   1.153  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.391   0.414   0.845  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.767   1.673   0.979  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.563   2.737   1.439  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        3.912   2.555   1.752  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.499   1.299   1.610  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        6.993  -3.473   0.397  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.789  -2.723   0.659  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        4.630  -3.377   0.843  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        3.748  -2.395   1.048  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.337  -1.108   1.002  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.668  -1.365   0.743  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.671   2.429  -0.375  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1       -4.393   3.378   0.248  0.00  0.00    -0.171 NA
ATOM     21  N   LIG    1       -5.595   3.342  -0.352  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.633   4.245   0.084  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1       -5.679   2.418  -1.347  0.00  0.00    +0.108 A 
ATOM     24  C   LIG    1       -4.447   1.812  -1.394  0.00  0.00    +0.049 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.395  -0.228  -0.420  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -3.230  -0.267   0.163  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.667  -1.494  -0.403  0.00  0.00    +0.072 C 
ATOM     28  C   LIG    1       -0.779  -1.672  -1.634  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1       -0.610  -3.182  -1.778  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1       -1.766  -3.817  -1.008  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1       -2.645  -2.659  -0.556  0.00  0.00    +0.022 C 
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 5