REMARK  Name = BDB028716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.429  -0.631  -0.961  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.734   0.000  -0.447  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.439  -1.035   0.134  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.667  -0.896   0.772  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1        3.210   0.401   0.814  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.500   1.478   0.234  0.00  0.00    +0.053 A 
ATOM      7  O   LIG    1        0.745  -2.194  -0.016  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.257   1.306  -0.401  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.431  -1.942  -0.702  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.435   0.046  -1.636  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.399   1.064  -1.636  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.953  -0.580  -1.941  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -3.773   0.543  -2.357  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -2.775  -1.714  -2.824  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -4.118  -2.356  -0.160  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.558  -1.091  -0.357  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -3.485  -0.199   0.723  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -3.905  -0.594   1.998  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.457  -1.858   2.190  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.580  -2.729   1.109  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.437  -4.318  -1.166  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -4.347  -3.216  -1.198  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -2.946   1.054   0.570  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -3.959   2.060   0.665  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        0.513   2.300  -0.978  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        1.022   3.626  -0.885  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        4.554   0.626   1.479  0.00  0.00    +0.196 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.548   0.814   0.378  0.00  0.00    +0.112 A 
ATOM     29  N   LIG    1        6.261   1.999   0.271  0.00  0.00    -0.218 NA
ATOM     30  C   LIG    1        7.036   1.798  -0.773  0.00  0.00    +0.307 A 
ATOM     31  O   LIG    1        6.910   0.576  -1.358  0.00  0.00    -0.450 OA
ATOM     32  C   LIG    1        5.959  -0.052  -0.612  0.00  0.00    +0.223 A 
ENDBRANCH  27  28
BRANCH  27  33
ATOM     33  O   LIG    1        4.475   1.770   2.331  0.00  0.00    -0.381 OA
ATOM     34  H   LIG    1        5.251   2.313   2.089  0.00  0.00    +0.211 HD
ENDBRANCH  27  33
ENDBRANCH   5  27
TORSDOF 9