REMARK  Name = BDB027169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        1.428   1.273   2.626  0.00  0.00    +0.059 S 
ATOM      2  O   LIG    1        1.431   0.387   3.769  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1        1.504   2.709   2.767  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        0.005   0.898   1.633  0.00  0.00    +0.105 A 
ATOM      5  C   LIG    1       -0.738  -0.256   1.884  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -1.853  -0.541   1.090  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -2.245   0.322   0.051  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1       -1.489   1.488  -0.166  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -0.372   1.782   0.621  0.00  0.00    +0.029 A 
BRANCH   7  10
ATOM     10  C   LIG    1       -3.422   0.019  -0.779  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1       -4.462   0.951  -0.930  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -5.579   0.664  -1.718  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.675  -0.562  -2.372  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.656  -1.500  -2.236  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.539  -1.212  -1.446  0.00  0.00    +0.008 A 
ENDBRANCH   7  10
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  N   LIG    1        2.694   0.823   1.631  0.00  0.00    -0.185 NA
ATOM     17  H   LIG    1        3.068   1.566   1.040  0.00  0.00    +0.148 HD
BRANCH  16  20
ATOM     18  N   LIG    1        3.808  -0.263  -0.970  0.00  0.00    -0.268 N 
ATOM     19  C   LIG    1        2.559  -0.729  -0.299  0.00  0.00    +0.136 C 
ATOM     20  C   LIG    1        2.850  -0.577   1.198  0.00  0.00    +0.096 C 
ATOM     21  C   LIG    1        4.322  -0.958   1.270  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        4.927  -0.344   0.012  0.00  0.00    +0.118 C 
BRANCH  18  24
ATOM     23  N   LIG    1        4.118  -0.209  -3.445  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1        3.976  -0.230  -2.297  0.00  0.00    +0.169 C 
ENDBRANCH  18  24
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 5