REMARK  Name = BDB057341
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.429   0.174   0.534  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -1.631   0.631  -0.493  0.00  0.00    +0.073 A 
ATOM      3  C   LIG    1       -0.508  -0.272  -0.722  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.512  -1.371   0.145  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.505  -2.367   0.119  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1        1.528  -2.207  -0.842  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        1.545  -1.138  -1.723  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        0.539  -0.177  -1.675  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1       -1.900  -1.308   1.166  0.00  0.00    -0.072 S 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -5.782   3.284   2.147  0.00  0.00    +0.129 C 
ATOM     11  N   LIG    1       -5.208   1.986   1.889  0.00  0.00    -0.302 N 
ATOM     12  H   LIG    1       -5.844   1.273   1.557  0.00  0.00    +0.150 HD
ATOM     13  C   LIG    1       -3.929   1.892   1.379  0.00  0.00    +0.304 C 
ATOM     14  N   LIG    1       -3.596   0.581   1.146  0.00  0.00    -0.263 N 
ATOM     15  H   LIG    1       -3.972  -0.070   1.823  0.00  0.00    +0.157 HD
ATOM     16  O   LIG    1       -3.203   2.863   1.216  0.00  0.00    -0.253 OA
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  C   LIG    1       -1.876   1.774  -1.358  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1       -2.170   1.658  -2.543  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1       -1.649   2.999  -0.810  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1       -1.861   3.091   0.185  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1       -1.988   3.770  -1.369  0.00  0.00    +0.145 HD
ENDBRANCH   2  17
BRANCH   5  22
ATOM     22  C   LIG    1        0.544  -3.564   1.064  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1        0.439  -4.888   0.303  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1        1.789  -3.536   1.955  0.00  0.00    +0.012 C 
ENDBRANCH   5  22
BRANCH   7  25
ATOM     25  N   LIG    1        2.620  -0.975  -2.644  0.00  0.00    -0.216 N 
ATOM     26  H   LIG    1        2.416  -0.408  -3.467  0.00  0.00    +0.174 HD
BRANCH  25  27
ATOM     27  S   LIG    1        4.135  -0.549  -2.008  0.00  0.00    +0.079 S 
ATOM     28  O   LIG    1        4.578  -1.549  -1.062  0.00  0.00    -0.149 OA
ATOM     29  O   LIG    1        4.947  -0.180  -3.151  0.00  0.00    -0.149 OA
BRANCH  27  30
ATOM     30  C   LIG    1        3.941   0.983  -1.112  0.00  0.00    +0.146 A 
ATOM     31  S   LIG    1        3.494   0.875   0.538  0.00  0.00    -0.077 S 
ATOM     32  C   LIG    1        3.460   2.576   0.709  0.00  0.00    +0.047 A 
ATOM     33  C   LIG    1        3.791   3.220  -0.462  0.00  0.00    +0.010 A 
ATOM     34  C   LIG    1        4.071   2.300  -1.513  0.00  0.00    +0.036 A 
ENDBRANCH  27  30
ENDBRANCH  25  27
ENDBRANCH   7  25
TORSDOF 6