REMARK  Name = BDB060118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.115   1.495  -0.669  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1        0.151   1.526  -1.685  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -1.164   1.901  -1.399  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -1.543   2.228  -0.093  0.00  0.00    +0.086 A 
ATOM      5  C   LIG    1       -0.570   2.238   0.910  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        0.746   1.865   0.630  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -2.870   2.602   0.196  0.00  0.00    -0.149 NA
ATOM      8  N   LIG    1       -3.719   1.731   0.527  0.00  0.00    -0.149 NA
BRANCH   8   9
ATOM      9  C   LIG    1       -3.359   0.370   0.589  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1       -2.865  -0.184   1.776  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1       -2.519  -1.537   1.839  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -2.690  -2.345   0.717  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -2.255  -4.008   0.787  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -3.216  -1.817  -0.461  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -3.558  -0.463  -0.519  0.00  0.00    +0.031 A 
ENDBRANCH   8   9
ENDBRANCH   4   7
BRANCH   1  16
ATOM     16  C   LIG    1        2.528   1.044  -0.973  0.00  0.00    +0.059 C 
BRANCH  16  20
ATOM     17  O   LIG    1        5.788  -2.636  -0.864  0.00  0.00    -0.263 OA
ATOM     18  C   LIG    1        4.742  -2.024  -0.747  0.00  0.00    +0.279 C 
ATOM     19  S   LIG    1        4.046  -1.037  -2.005  0.00  0.00    -0.054 S 
ATOM     20  C   LIG    1        2.661  -0.479  -0.947  0.00  0.00    +0.146 C 
ATOM     21  C   LIG    1        3.010  -1.015   0.432  0.00  0.00    +0.234 C 
ATOM     22  O   LIG    1        2.500  -0.665   1.488  0.00  0.00    -0.274 OA
ATOM     23  N   LIG    1        3.988  -1.963   0.373  0.00  0.00    -0.246 N 
ATOM     24  H   LIG    1        4.346  -2.368   1.224  0.00  0.00    +0.158 HD
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 4