REMARK  Name = BDB027853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.246   1.124  -0.591  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -0.369   2.086  -1.440  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -1.775   2.152  -1.446  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -2.349   3.113  -2.267  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -1.684   3.982  -3.071  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.346   3.881  -3.066  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -2.556   1.336  -0.716  0.00  0.00    -0.245 NA
ATOM      8  C   LIG    1       -1.973   0.391   0.054  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1        0.344   2.969  -2.285  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -0.589   0.254   0.118  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -2.903  -0.481   0.800  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -2.590  -1.009   2.061  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -3.510  -1.823   2.705  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1       -4.713  -2.150   2.193  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -5.014  -1.628   0.987  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -4.161  -0.805   0.270  0.00  0.00    +0.030 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1        1.647   1.006  -0.572  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        2.092   1.921  -0.607  0.00  0.00    +0.146 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.356   0.091   0.324  0.00  0.00    +0.106 C 
BRANCH  19  21
ATOM     20  C   LIG    1        3.387  -1.303  -1.530  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1        2.483  -1.314  -0.292  0.00  0.00    +0.017 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.953  -2.345   0.752  0.00  0.00    +0.082 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.302  -2.148   1.269  0.00  0.00    -0.330 NA
ATOM     24  H   LIG    1        4.984  -2.233   0.516  0.00  0.00    +0.118 HD
ATOM     25  H   LIG    1        4.418  -1.219   1.666  0.00  0.00    +0.118 HD
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 6