REMARK  Name = BDB053338
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.646  -0.903  -0.182  0.00  0.00    +0.045 C 
ATOM      2  C   LIG    1        4.318  -0.225  -0.319  0.00  0.00    -0.032 A 
ATOM      3  C   LIG    1        3.136  -0.867   0.063  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1        1.940  -0.191  -0.125  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1        1.947   1.067  -0.682  0.00  0.00    +0.130 A 
ATOM      6  S   LIG    1        0.313   1.728  -0.826  0.00  0.00    +0.017 S 
ATOM      7  N   LIG    1       -0.379   0.295  -0.131  0.00  0.00    -0.244 N 
ATOM      8  N   LIG    1        3.054   1.719  -1.078  0.00  0.00    -0.246 NA
ATOM      9  C   LIG    1        0.589  -0.665   0.206  0.00  0.00    +0.272 A 
ATOM     10  O   LIG    1        0.455  -1.773   0.706  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1        4.219   1.050  -0.890  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -1.794   0.162   0.056  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1       -2.687   1.188  -0.317  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -4.073   1.066  -0.138  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -4.597  -0.099   0.424  0.00  0.00    +0.126 A 
ATOM     16  C   LIG    1       -3.742  -1.134   0.804  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1       -2.358  -0.997   0.619  0.00  0.00    +0.029 A 
BRANCH  15  18
ATOM     18  N   LIG    1       -6.045  -0.235   0.614  0.00  0.00    +0.056 N 
ATOM     19  O   LIG    1       -6.465  -1.287   1.117  0.00  0.00    -0.126 OA
ATOM     20  O   LIG    1       -6.764   0.712   0.261  0.00  0.00    -0.126 OA
ENDBRANCH  15  18
ENDBRANCH   7  12
TORSDOF 2