REMARK  Name = BDB056170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.325   1.208   1.165  0.00  0.00    +0.062 C 
ATOM      2  C   LIG    1        6.272  -0.298   0.921  0.00  0.00    +0.256 C 
ATOM      3  C   LIG    1        6.257  -0.557  -0.592  0.00  0.00    +0.258 C 
ATOM      4  O   LIG    1        7.239  -0.395  -1.315  0.00  0.00    -0.271 OA
ATOM      5  N   LIG    1        5.049  -0.919  -1.117  0.00  0.00    -0.280 N 
ATOM      6  H   LIG    1        5.001  -1.034  -2.120  0.00  0.00    +0.155 HD
ATOM      7  C   LIG    1        3.943  -1.169  -0.306  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1        4.066  -1.119   1.082  0.00  0.00    +0.143 A 
ATOM      9  C   LIG    1        2.964  -1.404   1.885  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        1.738  -1.724   1.300  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        1.602  -1.770  -0.097  0.00  0.00    -0.031 A 
ATOM     12  C   LIG    1        2.721  -1.497  -0.898  0.00  0.00    +0.032 A 
ATOM     13  O   LIG    1        5.235  -0.839   1.734  0.00  0.00    -0.478 OA
ENDROOT
BRANCH  11  14
ATOM     14  C   LIG    1        0.272  -2.135  -0.725  0.00  0.00    +0.119 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -0.831  -1.251  -0.308  0.00  0.00    -0.298 NA
ATOM     16  C   LIG    1       -0.677   0.103  -0.864  0.00  0.00    +0.085 C 
ATOM     17  C   LIG    1       -1.797   1.030  -0.386  0.00  0.00    +0.023 C 
ATOM     18  C   LIG    1       -3.174   0.455  -0.743  0.00  0.00    +0.021 C 
ATOM     19  C   LIG    1       -3.293  -0.982  -0.220  0.00  0.00    +0.023 C 
ATOM     20  C   LIG    1       -2.121  -1.836  -0.705  0.00  0.00    +0.085 C 
BRANCH  18  21
ATOM     21  C   LIG    1       -4.310   1.338  -0.259  0.00  0.00    -0.044 A 
ATOM     22  C   LIG    1       -4.506   1.604   1.105  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.558   2.419   1.529  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.428   2.979   0.596  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.246   2.724  -0.761  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.195   1.909  -1.186  0.00  0.00    +0.004 A 
ENDBRANCH  18  21
ENDBRANCH  14  15
ENDBRANCH  11  14
TORSDOF 3