REMARK  Name = BDB051201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.167  -0.660   0.058  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1        0.423  -1.857   0.061  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -0.950  -1.704   0.292  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.755  -2.836   0.329  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.239  -4.118   0.131  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.116  -4.282  -0.117  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -1.527  -0.517   0.474  0.00  0.00    -0.221 NA
ATOM      8  C   LIG    1       -0.744   0.567   0.409  0.00  0.00    +0.195 A 
ATOM      9  C   LIG    1        0.944  -3.162  -0.155  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        0.578   0.545   0.198  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        2.571  -0.710  -0.164  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        2.991  -1.519   0.281  0.00  0.00    +0.155 HD
BRANCH  11  18
ATOM     13  C   LIG    1        6.348   2.468  -0.843  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1        5.027   1.812  -0.695  0.00  0.00    +0.062 A 
ATOM     15  N   LIG    1        3.903   2.523  -0.844  0.00  0.00    -0.178 NA
ATOM     16  N   LIG    1        2.925   1.620  -0.643  0.00  0.00    -0.264 N 
ATOM     17  H   LIG    1        1.954   1.914  -0.668  0.00  0.00    +0.190 HD
ATOM     18  C   LIG    1        3.384   0.355  -0.379  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        4.755   0.454  -0.401  0.00  0.00    +0.068 A 
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   8  20
ATOM     20  S   LIG    1       -1.475   2.176   0.616  0.00  0.00    -0.047 S 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.225   1.778   0.526  0.00  0.00    +0.052 A 
ATOM     22  C   LIG    1       -3.884   1.666  -0.714  0.00  0.00    +0.056 A 
ATOM     23 CL   LIG    1       -3.074   1.899  -2.230  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1       -5.249   1.355  -0.778  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1       -5.980   1.152   0.389  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -5.347   1.259   1.623  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1       -3.982   1.570   1.696  0.00  0.00    +0.056 A 
ATOM     28 CL   LIG    1       -3.299   1.675   3.286  0.00  0.00    -0.082 Cl
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 4