REMARK  Name = BDB028696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.849  -0.315  -1.055  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.257  -0.572  -0.202  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.889   0.652  -0.108  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.039   0.889   0.635  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        2.574  -0.208   1.332  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        1.947  -1.470   1.257  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.210   1.569  -0.847  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        0.783  -1.679   0.492  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.886   0.964  -1.439  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.775  -1.282  -1.422  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.739  -2.178  -0.941  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -3.242  -0.956  -2.151  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -2.954  -0.381  -3.448  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -4.015  -2.182  -2.055  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -4.589   1.399  -1.586  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -4.025   0.222  -1.086  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.092  -0.038   0.291  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -4.655   0.900   1.163  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -5.210   2.074   0.660  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -5.194   2.313  -0.713  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.770   2.668  -3.331  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -4.683   1.645  -2.927  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -3.556  -1.185   0.821  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -4.588  -2.070   1.264  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        0.112  -2.866   0.378  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        0.738  -4.023   0.919  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        3.825  -0.027   2.164  0.00  0.00    +0.178 C 
BRANCH  27  28
ATOM     28  N   LIG    1        4.993   0.220   1.331  0.00  0.00    -0.267 N 
ATOM     29  N   LIG    1        5.462   1.475   1.184  0.00  0.00    -0.176 NA
ATOM     30  C   LIG    1        6.522   1.334   0.378  0.00  0.00    +0.060 A 
ATOM     31  C   LIG    1        7.309   2.520  -0.035  0.00  0.00    +0.067 C 
ATOM     32  C   LIG    1        6.736  -0.019   0.030  0.00  0.00    +0.044 A 
ATOM     33  C   LIG    1        5.736  -0.714   0.667  0.00  0.00    +0.109 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8