REMARK  Name = BDB056172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        7.186  -0.188   1.118  0.00  0.00    +0.062 C 
ATOM      2  C   LIG    1        6.013  -0.403   0.169  0.00  0.00    +0.256 C 
ATOM      3  C   LIG    1        5.302  -1.730   0.490  0.00  0.00    +0.258 C 
ATOM      4  O   LIG    1        5.856  -2.716   0.971  0.00  0.00    -0.271 OA
ATOM      5  N   LIG    1        3.990  -1.777   0.099  0.00  0.00    -0.280 N 
ATOM      6  H   LIG    1        3.505  -2.657   0.205  0.00  0.00    +0.155 HD
ATOM      7  C   LIG    1        3.319  -0.633  -0.335  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1        3.953   0.610  -0.283  0.00  0.00    +0.143 A 
ATOM      9  C   LIG    1        3.261   1.758  -0.662  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        1.942   1.663  -1.111  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        1.298   0.417  -1.170  0.00  0.00    -0.031 A 
ATOM     12  C   LIG    1        2.000  -0.734  -0.775  0.00  0.00    +0.032 A 
ATOM     13  O   LIG    1        5.226   0.786   0.189  0.00  0.00    -0.478 OA
ENDROOT
BRANCH  11  14
ATOM     14  C   LIG    1       -0.132   0.310  -1.661  0.00  0.00    +0.119 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -1.038  -0.318  -0.686  0.00  0.00    -0.298 NA
ATOM     16  C   LIG    1       -1.155   0.482   0.547  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -2.458   0.209   1.298  0.00  0.00    +0.034 C 
ATOM     18  C   LIG    1       -3.660   0.661   0.445  0.00  0.00    +0.058 C 
ATOM     19  C   LIG    1       -3.419   0.392  -1.056  0.00  0.00    +0.034 C 
ATOM     20  C   LIG    1       -2.337  -0.660  -1.284  0.00  0.00    +0.086 C 
BRANCH  18  21
ATOM     21  N   LIG    1       -4.931   0.164   1.016  0.00  0.00    -0.305 NA
ATOM     22  C   LIG    1       -6.080   0.951   0.562  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1       -5.180  -1.261   0.801  0.00  0.00    +0.104 C 
ENDBRANCH  18  21
ENDBRANCH  14  15
ENDBRANCH  11  14
TORSDOF 3