REMARK  Name = BDB057618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.278  -2.809  -1.604  0.00  0.00    -0.184 NA
ATOM      2  H   LIG    1        0.069  -3.223  -2.470  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  S   LIG    1       -1.950  -2.819  -1.495  0.00  0.00    +0.059 S 
ATOM      4  O   LIG    1       -2.285  -3.747  -0.437  0.00  0.00    -0.153 OA
ATOM      5  O   LIG    1       -2.438  -2.982  -2.846  0.00  0.00    -0.153 OA
BRANCH   3   6
ATOM      6  C   LIG    1       -2.376  -1.164  -0.984  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1       -3.634  -0.888  -0.372  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -3.883   0.442   0.070  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1       -5.120   0.774   0.701  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -6.099  -0.217   0.868  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -5.876  -1.512   0.426  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.886   1.422  -0.131  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.678   1.137  -0.759  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -4.668  -1.839  -0.186  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -1.422  -0.155  -1.190  0.00  0.00    +0.029 A 
BRANCH   9  16
ATOM     16  N   LIG    1       -5.354   2.111   1.130  0.00  0.00    -0.336 N 
ATOM     17  C   LIG    1       -5.691   2.210   2.551  0.00  0.00    +0.129 C 
ATOM     18  C   LIG    1       -6.293   2.795   0.236  0.00  0.00    +0.129 C 
ENDBRANCH   9  16
ENDBRANCH   3   6
ENDBRANCH   1   3
BRANCH   1  19
ATOM     19  C   LIG    1        0.471  -3.118  -0.385  0.00  0.00    +0.164 C 
BRANCH  19  23
ATOM     20  N   LIG    1        3.746  -1.601  -0.692  0.00  0.00    -0.251 N 
ATOM     21  N   LIG    1        3.942  -2.798  -1.266  0.00  0.00    -0.065 NA
ATOM     22  N   LIG    1        2.793  -3.458  -1.210  0.00  0.00    -0.133 NA
ATOM     23  C   LIG    1        1.869  -2.659  -0.585  0.00  0.00    +0.098 A 
ATOM     24  C   LIG    1        2.466  -1.462  -0.250  0.00  0.00    +0.135 A 
BRANCH  20  25
ATOM     25  C   LIG    1        4.829  -0.645  -0.606  0.00  0.00    +0.146 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.722  -0.905   0.605  0.00  0.00    +0.036 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.959  -0.013   0.637  0.00  0.00    +0.133 C 
BRANCH  27  28
ATOM     28  P   LIG    1        6.627   1.744   0.694  0.00  0.00    +0.369 P 
ATOM     29  F   LIG    1        7.906   2.601   0.996  0.00  0.00    -0.156 F 
ATOM     30  O   LIG    1        5.499   2.124   1.606  0.00  0.00    -0.254 OA
BRANCH  28  32
ATOM     31  C   LIG    1        5.986   3.453  -1.127  0.00  0.00    +0.205 C 
ATOM     32  O   LIG    1        6.320   2.106  -0.853  0.00  0.00    -0.308 OA
ENDBRANCH  28  32
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  20  25
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 10