REMARK  Name = BDB058903
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.583   0.612  -0.938  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1       -1.230   0.783  -2.149  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -1.110   0.120  -2.911  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.901   1.234   0.073  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.728  -0.964  -0.024  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.640  -0.080  -0.099  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        0.533  -0.363  -0.912  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1        0.486  -1.556  -1.640  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.558  -2.445  -1.575  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.669  -2.147  -0.779  0.00  0.00    +0.008 A 
BRANCH   5  13
ATOM     11  C   LIG    1        6.308  -0.415   1.111  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        5.199  -0.704   0.305  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        3.894  -0.661   0.825  0.00  0.00    -0.017 A 
ATOM     14  C   LIG    1        3.734  -0.319   2.178  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        4.836  -0.030   2.987  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        6.123  -0.078   2.454  0.00  0.00    +0.019 A 
BRANCH  11  18
ATOM     17  N   LIG    1        8.698  -0.506   0.107  0.00  0.00    -0.191 NA
ATOM     18  C   LIG    1        7.629  -0.464   0.558  0.00  0.00    +0.099 C 
ENDBRANCH  11  18
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -2.611   1.438  -2.068  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -2.666   2.071  -1.257  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.917   0.317  -2.062  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1       -3.359  -1.011  -1.897  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -4.766   0.636  -3.190  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.765   0.760  -0.571  0.00  0.00    +0.107 A 
ATOM     25  C   LIG    1       -5.954   1.492  -0.636  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -6.615   1.830   0.545  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -6.092   1.433   1.778  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.909   0.694   1.835  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -4.242   0.351   0.660  0.00  0.00    +0.028 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6