REMARK  Name = BDB033836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.222   1.208   0.059  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1        2.770   2.318   0.730  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        4.140   2.249   0.982  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        4.692   3.333   1.649  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        4.027   4.444   2.063  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        2.714   4.488   1.783  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        4.904   1.213   0.607  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        4.299   0.214  -0.054  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        2.049   3.469   1.128  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        2.989   0.178  -0.343  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  16
ATOM     11  N   LIG    1       -3.714  -0.840   0.698  0.00  0.00    -0.299 NA
ATOM     12  C   LIG    1       -3.060   0.225  -0.047  0.00  0.00    +0.091 C 
ATOM     13  C   LIG    1       -1.697  -0.407  -0.376  0.00  0.00    -0.013 C 
ATOM     14  C   LIG    1       -1.022   0.331  -1.552  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        0.497   0.363  -1.397  0.00  0.00    +0.107 C 
ATOM     16  N   LIG    1        0.834   1.151  -0.201  0.00  0.00    -0.315 N 
ATOM     17  C   LIG    1        0.043   0.856   1.012  0.00  0.00    +0.107 C 
ATOM     18  C   LIG    1       -0.759  -0.437   0.866  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1       -2.123  -1.845  -0.738  0.00  0.00    +0.023 C 
ATOM     20  C   LIG    1       -3.405  -2.110   0.059  0.00  0.00    +0.085 C 
BRANCH  11  21
ATOM     21  C   LIG    1       -5.094  -0.607   1.109  0.00  0.00    +0.115 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -6.243  -0.191  -1.165  0.00  0.00    +0.039 C 
ATOM     23  C   LIG    1       -6.269  -0.941   0.159  0.00  0.00    +0.125 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -7.489  -0.605   0.834  0.00  0.00    -0.391 OA
ATOM     25  H   LIG    1       -8.226  -0.888   0.266  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  11  21
ENDBRANCH   1  16
BRANCH   8  26
ATOM     26  C   LIG    1        5.128  -0.927  -0.486  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        4.570  -2.027  -1.156  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1        5.388  -3.077  -1.543  0.00  0.00    +0.111 A 
ATOM     29  N   LIG    1        6.715  -3.117  -1.315  0.00  0.00    -0.263 NA
ATOM     30  C   LIG    1        7.247  -2.059  -0.672  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        6.510  -0.965  -0.246  0.00  0.00    +0.031 A 
ENDBRANCH   8  26
TORSDOF 5