REMARK  Name = BDB037135
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.193  -0.739   1.760  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1       -1.415  -0.511   1.123  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1       -1.448   0.111   0.315  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.088  -1.387   2.791  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.428   0.269   1.378  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        3.437   0.957   0.159  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1        2.241   1.079  -0.577  0.00  0.00    +0.055 A 
ATOM      8  C   LIG    1        1.035   0.536  -0.115  0.00  0.00    +0.133 A 
ATOM      9  C   LIG    1        1.023  -0.131   1.124  0.00  0.00    +0.083 A 
ATOM     10  C   LIG    1        2.226  -0.259   1.853  0.00  0.00    +0.062 A 
BRANCH   5  12
ATOM     11  C   LIG    1        4.673  -0.576   3.234  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        4.632   0.172   2.022  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   8  13
ATOM     13  O   LIG    1       -0.141   0.624  -0.812  0.00  0.00    -0.494 OA
ATOM     14  C   LIG    1       -0.102   1.160  -2.132  0.00  0.00    +0.277 C 
ENDBRANCH   8  13
BRANCH   6  15
ATOM     15  C   LIG    1        4.709   1.546  -0.410  0.00  0.00    +0.182 C 
BRANCH  15  16
ATOM     16  N   LIG    1        5.247   0.707  -1.472  0.00  0.00    -0.267 N 
ATOM     17  N   LIG    1        4.933   0.962  -2.763  0.00  0.00    -0.179 NA
ATOM     18  C   LIG    1        5.603   0.024  -3.439  0.00  0.00    +0.134 A 
ATOM     19  C   LIG    1        6.344  -0.823  -2.595  0.00  0.00    +0.041 A 
ATOM     20  C   LIG    1        6.098  -0.354  -1.327  0.00  0.00    +0.108 A 
ENDBRANCH  15  16
ENDBRANCH   6  15
ENDBRANCH   1   9
BRANCH   2  21
ATOM     21  S   LIG    1       -2.879  -1.066   1.691  0.00  0.00    +0.082 S 
ATOM     22  O   LIG    1       -2.815  -2.510   1.612  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1       -3.191  -0.364   2.918  0.00  0.00    -0.150 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.055  -0.492   0.485  0.00  0.00    +0.191 A 
ATOM     25  C   LIG    1       -5.151  -1.288   0.133  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1       -6.068  -0.840  -0.827  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -5.881   0.387  -1.461  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -4.797   1.186  -1.111  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1       -3.905   0.761  -0.120  0.00  0.00    +0.150 A 
BRANCH  25  30
ATOM     30  O   LIG    1       -5.429  -2.453   0.795  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1       -5.250  -3.593  -0.048  0.00  0.00    +0.277 C 
ENDBRANCH  25  30
BRANCH  29  32
ATOM     32  O   LIG    1       -2.854   1.587   0.183  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -3.275   2.624   1.076  0.00  0.00    +0.277 C 
ENDBRANCH  29  32
ENDBRANCH  21  24
ENDBRANCH   2  21
TORSDOF 9