REMARK  Name = BDB037231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.755  -1.498   1.172  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1        1.032  -1.944  -0.127  0.00  0.00    -0.180 N 
ATOM      3  H   LIG    1        0.329  -1.776  -0.844  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        1.569  -1.460   2.081  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -2.703  -0.643   0.335  0.00  0.00    +0.220 A 
ATOM      6  C   LIG    1       -3.258  -0.202   1.534  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -2.432  -0.183   2.667  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -1.113  -0.611   2.571  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -0.661  -1.044   1.334  0.00  0.00    +0.131 A 
ATOM     10  N   LIG    1       -1.430  -1.071   0.208  0.00  0.00    -0.208 NA
BRANCH   5  11
ATOM     11  O   LIG    1       -3.520  -0.632  -0.778  0.00  0.00    -0.476 OA
BRANCH  11  13
ATOM     12  C   LIG    1       -2.180   0.129  -2.658  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1       -2.903  -1.036  -2.003  0.00  0.00    +0.227 C 
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   6  14
ATOM     14  C   LIG    1       -4.677   0.291   1.617  0.00  0.00    +0.184 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -4.743   1.732   1.423  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1       -4.640   2.561   2.484  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1       -4.757   3.778   1.946  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1       -4.943   3.733   0.553  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1       -4.936   2.394   0.242  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   6  14
ENDBRANCH   1   9
BRANCH   2  20
ATOM     20  S   LIG    1        2.526  -2.364  -0.706  0.00  0.00    +0.082 S 
ATOM     21  O   LIG    1        2.953  -3.515   0.061  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1        2.385  -2.457  -2.147  0.00  0.00    -0.150 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.536  -0.951  -0.372  0.00  0.00    +0.191 A 
ATOM     24  C   LIG    1        3.093   0.318  -0.776  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1        3.850   1.459  -0.488  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1        5.079   1.336   0.153  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        5.545   0.075   0.518  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1        4.770  -1.066   0.274  0.00  0.00    +0.150 A 
BRANCH  24  29
ATOM     29  O   LIG    1        1.881   0.476  -1.402  0.00  0.00    -0.493 OA
ATOM     30  C   LIG    1        2.060   0.838  -2.774  0.00  0.00    +0.277 C 
ENDBRANCH  24  29
BRANCH  28  31
ATOM     31  O   LIG    1        5.316  -2.279   0.593  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1        5.205  -2.534   1.995  0.00  0.00    +0.277 C 
ENDBRANCH  28  31
ENDBRANCH  20  23
ENDBRANCH   2  20
TORSDOF 9