REMARK  Name = BDB028694
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.464   0.451  -0.796  0.00  0.00    +0.189 A 
ATOM      2  C   LIG    1        0.775   0.200  -0.134  0.00  0.00    +0.068 A 
ATOM      3  C   LIG    1        1.113   1.441   0.382  0.00  0.00    +0.170 A 
ATOM      4  C   LIG    1        2.268   1.723   1.108  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.155   0.660   1.315  0.00  0.00    -0.022 A 
ATOM      6  C   LIG    1        2.844  -0.614   0.808  0.00  0.00    +0.010 A 
ATOM      7  O   LIG    1        0.149   2.344   0.071  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.655  -0.887   0.091  0.00  0.00    -0.030 A 
ATOM      9  N   LIG    1       -0.839   1.727  -0.667  0.00  0.00    -0.061 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        1.321  -2.242  -0.467  0.00  0.00    +0.020 C 
ATOM     11  C   LIG    1        0.232  -3.075   0.172  0.00  0.00    +0.009 C 
ATOM     12  C   LIG    1        1.661  -3.497   0.307  0.00  0.00    +0.009 C 
ENDBRANCH   8  10
BRANCH   1  13
ATOM     13  N   LIG    1       -1.206  -0.495  -1.489  0.00  0.00    -0.196 N 
ATOM     14  H   LIG    1       -0.978  -1.478  -1.397  0.00  0.00    +0.175 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -2.735  -0.232  -2.115  0.00  0.00    +0.081 S 
ATOM     16  O   LIG    1       -2.613   0.817  -3.105  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -3.228  -1.542  -2.502  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1       -3.680  -0.462   0.449  0.00  0.00    +0.150 A 
ATOM     19  C   LIG    1       -3.708   0.292  -0.734  0.00  0.00    +0.191 A 
ATOM     20  C   LIG    1       -4.513   1.433  -0.796  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1       -5.261   1.826   0.321  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -5.186   1.104   1.511  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -4.393  -0.038   1.576  0.00  0.00    +0.048 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -3.743  -2.764   0.605  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -2.916  -1.597   0.544  0.00  0.00    -0.493 OA
ENDBRANCH  18  25
BRANCH  20  26
ATOM     26  O   LIG    1       -4.697   2.124  -1.962  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1       -4.046   3.395  -1.921  0.00  0.00    +0.277 C 
ENDBRANCH  20  26
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   5  28
ATOM     28  C   LIG    1        4.441   0.880   2.081  0.00  0.00    +0.178 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.610   0.737   1.224  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1        6.345  -0.394   1.265  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        7.321  -0.169   0.382  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        7.224   1.102  -0.213  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        6.109   1.670   0.357  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 8