REMARK  Name = BDB000788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.916   0.204  -0.052  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1       -1.907   0.796  -0.816  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -0.566   0.494  -0.547  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -0.206  -0.393   0.477  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -1.243  -0.975   1.231  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -2.588  -0.685   0.975  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -5.183  -0.034   0.375  0.00  0.00    -0.126 OA
ATOM      8  N   LIG    1       -4.323   0.516  -0.329  0.00  0.00    +0.056 N 
ATOM      9  O   LIG    1       -4.569   1.309  -1.248  0.00  0.00    -0.126 OA
ENDBRANCH   1   8
BRANCH   4  10
ATOM     10  N   LIG    1        1.120  -0.736   0.796  0.00  0.00    -0.294 N 
ATOM     11  H   LIG    1        1.209  -1.391   1.563  0.00  0.00    +0.154 HD
BRANCH  10  12
ATOM     12  C   LIG    1        2.280  -0.322   0.232  0.00  0.00    +0.163 A 
ATOM     13  S   LIG    1        3.770  -0.945   0.871  0.00  0.00    -0.045 S 
ATOM     14  C   LIG    1        4.631  -0.030  -0.264  0.00  0.00    +0.076 A 
ATOM     15 BR   LIG    1        6.528  -0.010  -0.410  0.00  0.00    -0.041 Br
ATOM     16  C   LIG    1        3.779   0.690  -1.058  0.00  0.00    +0.136 A 
ATOM     17  N   LIG    1        2.437   0.519  -0.769  0.00  0.00    -0.232 NA
ENDBRANCH  10  12
ENDBRANCH   4  10
TORSDOF 3