REMARK  Name = BDB062331
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.203  -1.605  -0.014  0.00  0.00    -0.345 N 
ATOM      2  C   LIG    1        2.821  -0.705   0.824  0.00  0.00    +0.068 A 
ATOM      3  C   LIG    1        1.854  -0.272   1.733  0.00  0.00    +0.093 A 
ATOM      4  N   LIG    1        2.108   0.630   2.714  0.00  0.00    -0.253 NA
ATOM      5  C   LIG    1        3.377   1.084   2.754  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1        4.396   0.710   1.892  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1        0.632  -0.930   1.431  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        4.130  -0.214   0.886  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        0.888  -1.757   0.351  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        2.827  -2.327  -1.112  0.00  0.00    +0.124 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.470  -1.763  -2.488  0.00  0.00    +0.049 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.033  -0.368  -2.738  0.00  0.00    +0.161 C 
BRANCH  12  14
ATOM     13  C   LIG    1        5.033   0.869  -2.855  0.00  0.00    +0.193 C 
ATOM     14  O   LIG    1        4.455  -0.413  -2.640  0.00  0.00    -0.383 OA
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   7  15
ATOM     15  C   LIG    1       -0.663  -0.767   2.157  0.00  0.00    +0.147 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -1.552   0.121   1.402  0.00  0.00    -0.292 N 
ATOM     17  C   LIG    1       -2.403  -0.465   0.456  0.00  0.00    +0.246 C 
ATOM     18  O   LIG    1       -2.523  -1.691   0.355  0.00  0.00    -0.273 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -3.191   0.489  -0.479  0.00  0.00    +0.217 C 
ATOM     20  O   LIG    1       -4.250   1.167   0.211  0.00  0.00    -0.365 OA
ATOM     21  C   LIG    1       -5.564   0.793  -0.215  0.00  0.00    +0.176 C 
ATOM     22  C   LIG    1       -5.684  -0.712  -0.473  0.00  0.00    +0.109 C 
ATOM     23  N   LIG    1       -4.808  -1.181  -1.562  0.00  0.00    -0.311 NA
ATOM     24  H   LIG    1       -4.424  -2.084  -1.264  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -3.670  -0.258  -1.749  0.00  0.00    +0.122 C 
ENDBRANCH  17  19
BRANCH  16  26
ATOM     26  C   LIG    1       -1.263   1.537   1.449  0.00  0.00    +0.077 C 
ATOM     27  C   LIG    1       -2.259   2.534   1.985  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1       -1.000   2.269   2.744  0.00  0.00    +0.024 C 
ENDBRANCH  16  26
ENDBRANCH  15  16
ENDBRANCH   7  15
TORSDOF 8