REMARK  Name = BDB046056
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.803  -1.491  -1.456  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.846  -1.175  -0.753  0.00  0.00    +0.215 C 
ATOM      3  N   LIG    1       -0.850  -2.091  -0.552  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1       -0.944  -2.898  -1.159  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.465  -1.851   0.024  0.00  0.00    +0.200 C 
BRANCH   5   6
ATOM      6  C   LIG    1        1.486  -1.418  -1.042  0.00  0.00    +0.233 C 
ATOM      7  N   LIG    1        2.723  -0.988  -0.583  0.00  0.00    -0.297 N 
ATOM      8  C   LIG    1        3.122  -0.968   0.831  0.00  0.00    +0.127 C 
ATOM      9  C   LIG    1        4.638  -0.801   1.042  0.00  0.00    +0.127 C 
ATOM     10  N   LIG    1        5.126   0.363   0.312  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        4.579   0.646  -1.018  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        3.723  -0.519  -1.548  0.00  0.00    +0.127 C 
ATOM     13  O   LIG    1        1.217  -1.469  -2.243  0.00  0.00    -0.274 OA
BRANCH  10  14
ATOM     14  C   LIG    1        6.380   0.851   0.617  0.00  0.00    +0.218 A 
ATOM     15  N   LIG    1        7.043   0.324   1.661  0.00  0.00    -0.223 NA
ATOM     16  C   LIG    1        8.257   0.830   1.953  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1        8.844   1.847   1.247  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        8.100   2.327   0.202  0.00  0.00    +0.116 A 
ATOM     19  N   LIG    1        6.884   1.850  -0.127  0.00  0.00    -0.223 NA
ENDBRANCH  10  14
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -1.702   0.175  -0.086  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.891   1.119  -0.309  0.00  0.00    +0.136 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.095   0.781   0.467  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1       -3.999   0.916   1.853  0.00  0.00    +0.330 A 
ATOM     24  O   LIG    1       -2.988   1.296   2.444  0.00  0.00    -0.246 OA
ATOM     25  N   LIG    1       -5.112   0.588   2.571  0.00  0.00    -0.275 N 
ATOM     26  H   LIG    1       -5.033   0.637   3.574  0.00  0.00    +0.173 HD
ATOM     27  C   LIG    1       -6.287   0.127   2.063  0.00  0.00    +0.260 A 
ATOM     28  O   LIG    1       -7.210  -0.237   2.782  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -6.380   0.101   0.594  0.00  0.00    +0.062 A 
ATOM     30  C   LIG    1       -7.717  -0.259   0.021  0.00  0.00    +0.202 C 
ATOM     31  O   LIG    1       -7.821   0.081  -1.369  0.00  0.00    -0.375 OA
ATOM     32  C   LIG    1       -6.686  -0.377  -2.099  0.00  0.00    +0.166 C 
ATOM     33  C   LIG    1       -5.439   0.389  -1.653  0.00  0.00    +0.082 C 
ATOM     34  C   LIG    1       -5.299   0.415  -0.145  0.00  0.00    +0.036 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 6