REMARK  Name = BDB031551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.411   2.470  -0.850  0.00  0.00    -0.288 NA
ATOM      2  C   LIG    1       -0.732   1.620  -0.403  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1       -0.602   0.112  -0.518  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1       -1.661   2.351  -1.412  0.00  0.00    +0.204 C 
ATOM      5  C   LIG    1       -0.573   3.451  -1.381  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        1.218   1.931  -1.958  0.00  0.00    +0.121 C 
BRANCH   6  16
ATOM      7  C   LIG    1        6.203  -1.357   0.663  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        5.944  -0.147   1.512  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1        6.616   0.102   2.508  0.00  0.00    -0.268 OA
ATOM     10  N   LIG    1        4.917   0.677   1.127  0.00  0.00    -0.321 N 
ATOM     11  H   LIG    1        4.751   1.485   1.711  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1        4.130   0.442  -0.005  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1        4.376  -0.672  -0.804  0.00  0.00    +0.088 A 
ATOM     14  N   LIG    1        3.670  -0.969  -1.915  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1        2.671  -0.113  -2.235  0.00  0.00    +0.116 A 
ATOM     16  C   LIG    1        2.332   1.022  -1.495  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1        3.101   1.305  -0.359  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        5.457  -1.579  -0.434  0.00  0.00    +0.038 A 
BRANCH   7  20
ATOM     19  C   LIG    1        6.957  -3.169   2.233  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        7.335  -2.257   1.074  0.00  0.00    +0.037 C 
ENDBRANCH   7  20
ENDBRANCH   6  16
ENDBRANCH   1   6
BRANCH   4  21
ATOM     21  O   LIG    1       -2.967   2.764  -0.944  0.00  0.00    -0.486 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.865   1.762  -0.685  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1       -4.538   1.819   0.535  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -5.479   0.839   0.862  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1       -5.749  -0.199  -0.039  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1       -5.095  -0.227  -1.278  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1       -4.154   0.755  -1.603  0.00  0.00    +0.046 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -6.745  -1.267   0.259  0.00  0.00    +0.244 C 
ATOM     29  N   LIG    1       -6.954  -1.556   1.593  0.00  0.00    -0.314 N 
ATOM     30  H   LIG    1       -6.283  -1.226   2.272  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1       -7.808  -2.653   1.976  0.00  0.00    +0.128 C 
ATOM     32  O   LIG    1       -7.303  -1.860  -0.657  0.00  0.00    -0.270 OA
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 6