REMARK  Name = BDB051203
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.703  -2.111  -0.644  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1       -0.160  -3.253  -1.089  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1        1.168  -3.311  -1.185  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        2.002  -2.235  -0.858  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        3.410  -2.393  -0.964  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        3.966  -3.591  -1.407  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.130  -4.645  -1.744  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.335  -1.069  -0.433  0.00  0.00    +0.136 A 
ATOM      9  C   LIG    1        1.746  -4.495  -1.627  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -0.002  -1.024  -0.303  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1        2.104   0.092  -0.127  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        2.800   0.237  -0.852  0.00  0.00    +0.155 HD
BRANCH  11  13
ATOM     13  C   LIG    1        1.638   1.169   0.557  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1        2.245   2.392   0.453  0.00  0.00    -0.264 N 
ATOM     15  H   LIG    1        3.057   2.638  -0.099  0.00  0.00    +0.190 HD
ATOM     16  N   LIG    1        1.662   3.361   1.179  0.00  0.00    -0.178 NA
ATOM     17  C   LIG    1        0.658   2.728   1.800  0.00  0.00    +0.062 A 
ATOM     18  C   LIG    1       -0.239   3.466   2.720  0.00  0.00    +0.067 C 
ATOM     19  C   LIG    1        0.609   1.360   1.450  0.00  0.00    +0.068 A 
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  20
ATOM     20  S   LIG    1       -2.477  -2.108  -0.494  0.00  0.00    -0.046 S 
BRANCH  20  22
ATOM     21  C   LIG    1       -2.746   0.686  -0.597  0.00  0.00    +0.134 A 
ATOM     22  C   LIG    1       -2.823  -0.487   0.173  0.00  0.00    +0.057 A 
ATOM     23  C   LIG    1       -3.216  -0.399   1.517  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1       -3.527   0.836   2.088  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -3.460   1.994   1.317  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -3.076   1.920  -0.023  0.00  0.00    +0.047 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -1.455   1.544  -2.352  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -2.408   0.574  -1.923  0.00  0.00    -0.494 OA
ENDBRANCH  21  28
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5