REMARK  Name = BDB027818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.731   0.422  -0.424  0.00  0.00    +0.077 A 
ATOM      2  N   LIG    1        1.948   1.727  -0.688  0.00  0.00    -0.245 NA
ATOM      3  C   LIG    1        0.915   2.575  -0.561  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -0.368   2.174  -0.138  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -1.385   3.157  -0.087  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1       -1.095   4.470  -0.420  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        0.124   4.881  -0.801  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -0.568   0.803   0.202  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        1.081   3.919  -0.863  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1        0.507  -0.065   0.016  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        1.928  -2.737  -1.501  0.00  0.00    +0.068 C 
ATOM     12  C   LIG    1        2.991  -1.806  -1.048  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        2.875  -0.457  -0.607  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        4.178  -0.066  -0.375  0.00  0.00    +0.115 A 
ATOM     15  N   LIG    1        4.960  -1.144  -0.649  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1        5.970  -1.217  -0.590  0.00  0.00    +0.188 HD
ATOM     17  N   LIG    1        4.266  -2.222  -1.044  0.00  0.00    -0.179 NA
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  N   LIG    1       -1.830   0.385   0.629  0.00  0.00    -0.339 N 
ATOM     19  H   LIG    1       -2.227   1.073   1.267  0.00  0.00    +0.147 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.329  -0.969   0.927  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -1.646  -1.561   2.166  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1       -2.234  -1.897  -0.291  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1       -3.833  -0.806   1.256  0.00  0.00    +0.031 C 
ENDBRANCH  18  20
ENDBRANCH   8  18
TORSDOF 3