REMARK  Name = BDB027852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.276  -0.552   0.141  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        0.063  -1.877  -0.237  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.423  -2.181  -0.416  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        1.719  -3.484  -0.788  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        0.823  -4.488  -0.981  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.467  -4.172  -0.778  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.409  -1.280  -0.236  0.00  0.00    -0.245 NA
ATOM      8  C   LIG    1        2.087  -0.020   0.135  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1       -0.888  -2.907  -0.410  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        0.765   0.363   0.340  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -1.873   1.430  -1.625  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1       -2.351   0.130  -0.969  0.00  0.00    +0.084 C 
ATOM     13  N   LIG    1       -1.623  -0.178   0.299  0.00  0.00    -0.324 N 
ATOM     14  C   LIG    1       -1.961   0.727   1.419  0.00  0.00    +0.120 C 
ATOM     15  C   LIG    1       -3.492   0.763   1.632  0.00  0.00    +0.100 C 
ATOM     16  N   LIG    1       -4.247   1.118   0.414  0.00  0.00    -0.313 NA
ATOM     17  H   LIG    1       -5.244   1.026   0.605  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -3.879   0.186  -0.671  0.00  0.00    +0.103 C 
ENDBRANCH   1  13
BRANCH   8  19
ATOM     19  C   LIG    1        3.228   0.902   0.305  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        4.472   0.426   0.744  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        5.527   1.312   0.899  0.00  0.00    +0.111 A 
ATOM     22  N   LIG    1        5.437   2.634   0.649  0.00  0.00    -0.263 NA
ATOM     23  C   LIG    1        4.244   3.083   0.214  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        3.132   2.273   0.030  0.00  0.00    +0.030 A 
ENDBRANCH   8  19
TORSDOF 2