REMARK  Name = BDB028708
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.629   1.503  -0.982  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.711   1.036  -0.929  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.251   1.715   0.146  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.563   1.579   0.585  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.373   0.688  -0.137  0.00  0.00    -0.033 A 
ATOM      6  C   LIG    1        2.844  -0.030  -1.230  0.00  0.00    +0.050 A 
ATOM      7  O   LIG    1        0.303   2.519   0.695  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.509   0.126  -1.647  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.881   2.386  -0.011  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.554   1.074  -1.925  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.293   0.286  -2.514  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -3.201   1.328  -1.814  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -3.417   2.758  -1.888  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.808   0.450  -2.798  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.221  -0.589   0.149  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.650   0.694  -0.222  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.433   1.435   0.667  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -4.763   0.904   1.921  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.289  -0.349   2.304  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -3.514  -1.095   1.420  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.205  -2.460  -1.202  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.456  -1.352  -0.698  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -5.000   2.628   0.314  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -4.353   3.721   0.968  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1        0.919  -0.538  -2.690  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        1.715  -1.492  -3.383  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        4.813   0.469   0.284  0.00  0.00    +0.111 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.995  -0.725   1.188  0.00  0.00    +0.133 A 
ATOM     29  N   LIG    1        5.212  -1.925   0.607  0.00  0.00    -0.240 NA
ATOM     30  C   LIG    1        5.351  -2.974   1.439  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1        5.281  -2.874   2.808  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1        5.057  -1.610   3.300  0.00  0.00    +0.114 A 
ATOM     33  N   LIG    1        4.912  -0.523   2.519  0.00  0.00    -0.240 NA
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8