REMARK  Name = BDB032654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.099   0.407   0.176  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1        1.093   1.057   0.833  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1       -0.079   0.335   0.732  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1        0.222  -0.758   0.034  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1        1.577  -0.751  -0.354  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        4.609   0.363  -0.091  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1        3.411   1.060   0.191  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1        3.491   2.434   0.493  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        4.714   3.105   0.511  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.883   2.413   0.224  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        5.832   1.051  -0.077  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1        5.703  -1.736  -0.447  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        4.502  -0.977  -0.372  0.00  0.00    -0.494 OA
ENDBRANCH   6  13
ENDBRANCH   1   7
BRANCH   4  14
ATOM     14  N   LIG    1       -0.675  -1.754  -0.323  0.00  0.00    -0.201 N 
ATOM     15  H   LIG    1       -0.315  -2.574  -0.805  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1       -2.127  -2.061   0.435  0.00  0.00    +0.047 S 
ATOM     17  O   LIG    1       -2.101  -1.611   1.807  0.00  0.00    -0.155 OA
ATOM     18  O   LIG    1       -2.372  -3.461   0.136  0.00  0.00    -0.155 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -3.326  -1.095  -0.523  0.00  0.00    +0.151 C 
ATOM     20  C   LIG    1       -3.074   0.414  -0.424  0.00  0.00    +0.028 C 
ATOM     21  C   LIG    1       -4.329   1.215  -0.750  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -5.455   0.923   0.242  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -5.387  -0.482   0.841  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -4.765  -1.482  -0.128  0.00  0.00    +0.028 C 
ENDBRANCH  16  19
ENDBRANCH  14  16
ENDBRANCH   4  14
TORSDOF 5