REMARK  Name = BDB027557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.622  -0.081  -0.931  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.214   0.484   0.011  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.629   0.671  -0.272  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.213   1.268   1.016  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.020   2.052   1.572  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.164   1.152   1.248  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.239  -0.433  -2.043  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.773  -0.599  -0.003  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        4.376   0.135  -1.123  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        3.019   0.299  -1.422  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        2.049  -0.258  -0.587  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        2.431  -1.013   0.523  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        3.789  -1.177   0.814  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.253  -0.322  -0.261  0.00  0.00    +0.217 C 
ATOM     15  N   LIG    1        6.117  -0.814   0.364  0.00  0.00    -0.286 N 
ATOM     16  H   LIG    1        6.268  -1.389   1.183  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        7.287   0.412  -1.241  0.00  0.00    -0.275 OA
BRANCH  14  19
ATOM     18  C   LIG    1        9.783  -0.291  -0.231  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        8.518  -0.805   0.433  0.00  0.00    +0.093 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -3.342   2.159   0.802  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -3.172   2.958   0.198  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.487   1.552   0.309  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1       -4.787   0.291   0.651  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1       -5.898  -0.254   0.142  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1       -6.738   0.442  -0.730  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1       -7.902  -0.154  -1.254  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -8.228  -1.462  -0.900  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -7.396  -2.167  -0.029  0.00  0.00    +0.054 A 
ATOM     29  C   LIG    1       -6.332   1.732  -1.024  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.242  -1.556   0.481  0.00  0.00    +0.047 A 
ATOM     31  N   LIG    1       -5.219   2.299  -0.522  0.00  0.00    -0.222 NA
BRANCH  28  32
ATOM     32  C   LIG    1       -7.719  -3.512   0.346  0.00  0.00    +0.099 C 
ATOM     33  N   LIG    1       -7.987  -4.600   0.647  0.00  0.00    -0.191 NA
ENDBRANCH  28  32
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 6