REMARK  Name = BDB056934
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.556   1.384   0.364  0.00  0.00    +0.130 A 
ATOM      2  N   LIG    1       -0.485   0.580   0.598  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1       -0.239  -0.723   0.737  0.00  0.00    +0.192 A 
ATOM      4  N   LIG    1        0.975  -1.285   0.677  0.00  0.00    -0.207 NA
ATOM      5  C   LIG    1        2.021  -0.488   0.417  0.00  0.00    +0.127 A 
ATOM      6  C   LIG    1        1.839   0.876   0.264  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        3.298  -1.046   0.350  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1        3.388  -2.479   0.692  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1        4.870  -2.913   0.707  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        5.560  -2.764  -0.596  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        6.973  -2.451  -0.398  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        4.887  -1.769  -1.454  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        4.207  -0.589  -0.719  0.00  0.00    +0.122 C 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  N   LIG    1        0.372   2.775   0.180  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1        1.089   3.293   0.670  0.00  0.00    +0.155 HD
BRANCH  14  21
ATOM     16  C   LIG    1       -2.972   6.398  -0.229  0.00  0.00    +0.065 C 
ATOM     17  C   LIG    1       -2.212   5.131  -0.238  0.00  0.00    +0.035 A 
ATOM     18  N   LIG    1       -2.738   3.963  -0.711  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1       -3.662   3.800  -1.098  0.00  0.00    +0.189 HD
ATOM     20  N   LIG    1       -1.892   2.927  -0.648  0.00  0.00    -0.158 NA
ATOM     21  C   LIG    1       -0.786   3.424  -0.088  0.00  0.00    +0.146 A 
ATOM     22  C   LIG    1       -0.936   4.811   0.169  0.00  0.00    +0.068 A 
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   3  23
ATOM     23  S   LIG    1       -1.608  -1.813   1.035  0.00  0.00    -0.081 S 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.967  -0.714   0.527  0.00  0.00    +0.112 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.298  -1.429   0.585  0.00  0.00    -0.037 A 
ATOM     26  C   LIG    1       -5.055  -1.430   1.768  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -6.278  -2.100   1.823  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1       -6.742  -2.773   0.699  0.00  0.00    +0.123 A 
ATOM     29  F   LIG    1       -7.916  -3.415   0.753  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -6.005  -2.792  -0.479  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1       -4.781  -2.123  -0.537  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6