REMARK  Name = BDB001852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        1.865  -2.762  -0.466  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        2.693  -3.799  -1.044  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        1.163  -2.974   0.781  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        2.872  -1.306  -0.317  0.00  0.00    +0.111 A 
ATOM      5  C   LIG    1        2.676  -0.450   0.775  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1        3.496   0.651   0.830  0.00  0.00    +0.069 A 
ATOM      7  C   LIG    1        4.475   0.904  -0.132  0.00  0.00    +0.067 A 
ATOM      8  N   LIG    1        5.120   2.084   0.216  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1        5.878   2.536  -0.269  0.00  0.00    +0.170 HD
ATOM     10  C   LIG    1        4.552   2.578   1.400  0.00  0.00    +0.325 A 
ATOM     11  O   LIG    1        4.873   3.591   1.993  0.00  0.00    -0.247 OA
ATOM     12  C   LIG    1        4.691   0.069  -1.203  0.00  0.00    +0.030 A 
ATOM     13  N   LIG    1        3.542   1.676   1.767  0.00  0.00    -0.306 N 
ATOM     14  H   LIG    1        2.970   1.784   2.589  0.00  0.00    +0.170 HD
ATOM     15  C   LIG    1        3.871  -1.062  -1.292  0.00  0.00    +0.031 A 
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  N   LIG    1        0.759  -2.321  -1.669  0.00  0.00    -0.216 N 
ATOM     17  H   LIG    1        0.585  -3.106  -2.297  0.00  0.00    +0.174 HD
BRANCH  16  21
ATOM     18  C   LIG    1       -2.519   0.038  -0.447  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1       -2.600  -1.361  -0.399  0.00  0.00    +0.017 A 
ATOM     20  C   LIG    1       -1.518  -2.143  -0.816  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -0.357  -1.530  -1.286  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -0.263  -0.141  -1.331  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -1.344   0.642  -0.915  0.00  0.00    +0.017 A 
BRANCH  18  24
ATOM     24  C   LIG    1       -3.638   0.920  -0.013  0.00  0.00    +0.339 C 
ATOM     25  O   LIG    1       -3.577   2.138  -0.035  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -4.697   0.179   0.396  0.00  0.00    -0.461 OA
BRANCH  26  28
ATOM     27  C   LIG    1       -5.705   1.260   2.314  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1       -5.842   0.922   0.842  0.00  0.00    +0.229 C 
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH  18  24
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 6