REMARK  Name = BDB048845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.127   1.046   0.510  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.959   1.400  -0.722  0.00  0.00    +0.075 C 
BRANCH   2  11
ATOM      3  O   LIG    1        6.217   1.653   1.279  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        5.482   1.066   0.494  0.00  0.00    +0.259 A 
ATOM      5  C   LIG    1        5.925  -0.114  -0.267  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1        5.000  -0.703  -1.134  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1        5.394  -1.823  -1.867  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        6.686  -2.342  -1.736  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        7.598  -1.742  -0.866  0.00  0.00    +0.001 A 
ATOM     10  N   LIG    1        3.692  -0.211  -1.294  0.00  0.00    -0.234 NA
ATOM     11  C   LIG    1        3.350   0.829  -0.606  0.00  0.00    +0.110 A 
ATOM     12  C   LIG    1        7.220  -0.622  -0.126  0.00  0.00    +0.015 A 
ATOM     13  N   LIG    1        4.190   1.466   0.267  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1        3.882   2.271   0.793  0.00  0.00    +0.170 HD
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -0.317   1.538   0.357  0.00  0.00    +0.085 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -1.099   1.395   1.595  0.00  0.00    -0.302 NA
ATOM     17  C   LIG    1       -2.365   2.144   1.527  0.00  0.00    +0.085 C 
ATOM     18  C   LIG    1       -3.412   1.512   0.607  0.00  0.00    +0.023 C 
ATOM     19  C   LIG    1       -3.674   0.050   0.998  0.00  0.00    +0.021 C 
ATOM     20  C   LIG    1       -2.354  -0.730   1.093  0.00  0.00    +0.023 C 
ATOM     21  C   LIG    1       -1.354   0.002   1.992  0.00  0.00    +0.085 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -4.670  -0.620   0.068  0.00  0.00    -0.044 A 
ATOM     23  C   LIG    1       -5.898  -1.073   0.572  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -6.829  -1.691  -0.266  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.545  -1.864  -1.619  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.330  -1.419  -2.134  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.399  -0.800  -1.297  0.00  0.00    +0.004 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5