REMARK  Name = BDB060702
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.354   1.584   0.014  0.00  0.00    -0.218 N 
ATOM      2  H   LIG    1       -0.321   1.156  -0.611  0.00  0.00    +0.176 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.074   2.849   0.477  0.00  0.00    +0.154 C 
ATOM      4  S   LIG    1        1.198   3.938   1.079  0.00  0.00    -0.017 S 
BRANCH   3   5
ATOM      5  N   LIG    1       -1.226   3.273   0.381  0.00  0.00    -0.296 N 
ATOM      6  H   LIG    1       -1.314   4.280   0.480  0.00  0.00    +0.154 HD
BRANCH   5  10
ATOM      7  C   LIG    1       -4.934   1.273   0.060  0.00  0.00    +0.059 A 
ATOM      8  C   LIG    1       -4.809   2.636  -0.232  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -3.569   3.273  -0.115  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -2.433   2.555   0.274  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -2.565   1.202   0.596  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -3.806   0.561   0.483  0.00  0.00    +0.017 A 
BRANCH   7  13
ATOM     13  C   LIG    1       -6.276   0.643  -0.077  0.00  0.00    +0.339 C 
ATOM     14  O   LIG    1       -7.274   1.253  -0.427  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.218  -0.676   0.233  0.00  0.00    -0.461 OA
BRANCH  15  17
ATOM     16  C   LIG    1       -7.253  -2.811   0.503  0.00  0.00    +0.048 C 
ATOM     17  C   LIG    1       -7.473  -1.359   0.127  0.00  0.00    +0.229 C 
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH   7  13
ENDBRANCH   5  10
ENDBRANCH   3   5
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  N   LIG    1        1.614   1.066   0.060  0.00  0.00    -0.188 NA
ATOM     19  C   LIG    1        1.779  -0.074  -0.534  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.107  -0.740  -0.562  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        3.308  -2.009  -1.134  0.00  0.00    +0.044 A 
ATOM     22 BR   LIG    1        1.844  -2.966  -1.912  0.00  0.00    -0.048 Br
ATOM     23  C   LIG    1        4.600  -2.569  -1.119  0.00  0.00    +0.078 A 
ATOM     24 BR   LIG    1        4.964  -4.286  -1.885  0.00  0.00    -0.045 Br
ATOM     25  C   LIG    1        5.665  -1.866  -0.524  0.00  0.00    +0.176 A 
ATOM     26  C   LIG    1        5.471  -0.587   0.019  0.00  0.00    +0.163 A 
ATOM     27  C   LIG    1        4.189  -0.041   0.007  0.00  0.00    +0.060 A 
BRANCH  25  28
ATOM     28  O   LIG    1        6.928  -2.416  -0.555  0.00  0.00    -0.490 OA
ATOM     29  C   LIG    1        7.302  -2.914   0.731  0.00  0.00    +0.277 C 
ENDBRANCH  25  28
BRANCH  26  30
ATOM     30  O   LIG    1        6.578   0.041   0.526  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1        6.430   1.383   0.976  0.00  0.00    +0.277 C 
ENDBRANCH  26  30
ENDBRANCH  19  20
ENDBRANCH   1  18
TORSDOF 10