REMARK  Name = BDB032639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.725   1.277   0.438  0.00  0.00    +0.078 S 
ATOM      2  O   LIG    1       -1.012   2.639   0.024  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -0.247   1.008   1.775  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   6
ATOM      4  C   LIG    1       -4.551   0.262  -0.425  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1       -3.372   0.981  -0.203  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -2.189   0.312   0.152  0.00  0.00    +0.150 A 
ATOM      7  C   LIG    1       -2.168  -1.079   0.306  0.00  0.00    +0.147 A 
ATOM      8  C   LIG    1       -3.350  -1.792   0.082  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -4.529  -1.128  -0.276  0.00  0.00    +0.007 A 
BRANCH   4  11
ATOM     10  C   LIG    1       -6.614   1.388   0.449  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -5.828   0.976  -0.786  0.00  0.00    +0.032 C 
ENDBRANCH   4  11
BRANCH   7  12
ATOM     12  O   LIG    1       -0.980  -1.662   0.639  0.00  0.00    -0.493 OA
ATOM     13  C   LIG    1       -1.008  -3.002   1.115  0.00  0.00    +0.277 C 
ENDBRANCH   7  12
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  N   LIG    1        0.338   0.715  -0.757  0.00  0.00    -0.183 N 
ATOM     15  H   LIG    1        0.388   1.419  -1.491  0.00  0.00    +0.177 HD
BRANCH  14  16
ATOM     16  C   LIG    1        1.639   0.308  -0.243  0.00  0.00    +0.237 A 
ATOM     17  O   LIG    1        1.858  -0.626   0.717  0.00  0.00    -0.338 OA
ATOM     18  N   LIG    1        3.216  -0.787   0.906  0.00  0.00    -0.076 NA
ATOM     19  C   LIG    1        3.823   0.055   0.053  0.00  0.00    +0.115 A 
ATOM     20  C   LIG    1        2.848   0.760  -0.706  0.00  0.00    +0.098 A 
BRANCH  19  21
ATOM     21  C   LIG    1        5.285   0.152  -0.016  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        5.916   0.983  -0.946  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        7.302   1.030  -0.963  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1        8.089   0.319  -0.131  0.00  0.00    -0.263 NA
ATOM     25  C   LIG    1        7.464  -0.476   0.761  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1        6.088  -0.592   0.856  0.00  0.00    +0.030 A 
ENDBRANCH  19  21
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 6