REMARK  Name = BDB057737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.759   0.397   1.080  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1       -1.948  -0.040   0.261  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -3.090  -0.454   0.966  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -4.231  -0.879   0.282  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -4.241  -0.881  -1.113  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.117  -0.452  -1.820  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.032  -0.395   2.407  0.00  0.00    +0.186 A 
ATOM      8  N   LIG    1       -1.887   0.064   3.008  0.00  0.00    -0.196 N 
ATOM      9  C   LIG    1       -2.141   0.016   4.356  0.00  0.00    +0.152 A 
ATOM     10  N   LIG    1       -3.362  -0.446   4.553  0.00  0.00    -0.132 NA
ATOM     11  C   LIG    1       -1.159   0.427   5.378  0.00  0.00    +0.090 C 
ATOM     12  N   LIG    1       -3.925  -0.706   3.321  0.00  0.00    -0.127 NA
ATOM     13  C   LIG    1       -1.973  -0.026  -1.139  0.00  0.00    +0.011 A 
ATOM     14  N   LIG    1       -0.739   0.464   2.385  0.00  0.00    -0.163 NA
ENDROOT
BRANCH   1  19
ATOM     15  C   LIG    1        4.049   1.983  -1.713  0.00  0.00    +0.046 C 
ATOM     16  C   LIG    1        2.825   1.533  -0.964  0.00  0.00    -0.028 A 
ATOM     17  C   LIG    1        2.380   0.200  -0.997  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1        1.218  -0.178  -0.321  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        0.492   0.781   0.385  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        0.940   2.098   0.468  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        2.101   2.472  -0.209  0.00  0.00    +0.006 A 
BRANCH  17  22
ATOM     22  N   LIG    1        3.050  -0.785  -1.791  0.00  0.00    -0.221 N 
ATOM     23  H   LIG    1        4.049  -0.614  -1.924  0.00  0.00    +0.173 HD
BRANCH  22  24
ATOM     24  S   LIG    1        2.358  -1.132  -3.303  0.00  0.00    +0.040 S 
ATOM     25  O   LIG    1        3.422  -0.956  -4.268  0.00  0.00    -0.155 OA
ATOM     26  O   LIG    1        1.081  -0.468  -3.442  0.00  0.00    -0.155 OA
ATOM     27  C   LIG    1        2.063  -2.876  -3.122  0.00  0.00    +0.218 C 
ENDBRANCH  22  24
ENDBRANCH  17  22
ENDBRANCH   1  19
TORSDOF 3