REMARK  Name = BDB045983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.673   0.088  -0.886  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        5.994   2.555  -0.042  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        4.709   2.027   0.021  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        3.946   1.145  -0.886  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1        2.684   0.981  -0.344  0.00  0.00    -0.293 N 
ATOM      6  C   LIG    1        2.538   1.623   0.942  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        4.357   0.642  -1.915  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.853   2.310   1.103  0.00  0.00    -0.017 A 
ATOM      9  C   LIG    1        4.249   3.124   2.152  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        5.528   3.667   2.110  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.384   3.388   1.030  0.00  0.00    +0.014 A 
BRANCH   2  15
ATOM     12  N   LIG    1        6.784   1.469  -2.118  0.00  0.00    -0.325 N 
ATOM     13  H   LIG    1        7.477   1.393  -2.849  0.00  0.00    +0.145 HD
ATOM     14  H   LIG    1        5.905   0.973  -2.257  0.00  0.00    +0.145 HD
ATOM     15  C   LIG    1        7.012   2.354  -1.112  0.00  0.00    +0.242 C 
ATOM     16  O   LIG    1        8.071   2.975  -1.092  0.00  0.00    -0.270 OA
ENDBRANCH   2  15
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1        1.780  -1.314  -0.297  0.00  0.00    +0.034 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.924  -2.371  -1.010  0.00  0.00    +0.086 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -0.537  -2.264  -0.976  0.00  0.00    -0.302 NA
ATOM     20  C   LIG    1       -1.090  -1.962   0.343  0.00  0.00    +0.084 C 
ATOM     21  C   LIG    1       -2.611  -2.127   0.355  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1       -3.280  -1.279  -0.737  0.00  0.00    -0.004 C 
ATOM     23  C   LIG    1       -2.628  -1.594  -2.092  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1       -1.107  -1.435  -2.036  0.00  0.00    +0.084 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -4.799  -1.521  -0.813  0.00  0.00    +0.038 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.551  -1.007   0.392  0.00  0.00    -0.047 A 
ATOM     27  C   LIG    1       -6.019  -1.893   1.372  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -6.705  -1.414   2.489  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.931  -0.047   2.637  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.470   0.843   1.668  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.783   0.366   0.551  0.00  0.00    +0.003 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 7