REMARK  Name = BDB060953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.643  -2.609   0.399  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        0.714  -1.774   1.042  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -0.614  -2.170   1.216  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -1.020  -3.425   0.760  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -0.109  -4.287   0.144  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1        1.221  -3.881  -0.020  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   4   7
ATOM      7  S   LIG    1       -2.725  -3.905   0.947  0.00  0.00    +0.099 S 
ATOM      8  O   LIG    1       -2.958  -4.056   2.369  0.00  0.00    -0.146 OA
ATOM      9  O   LIG    1       -2.959  -5.014   0.039  0.00  0.00    -0.146 OA
BRANCH   7  10
ATOM     10  N   LIG    1       -3.545  -2.610   0.411  0.00  0.00    -0.137 NA
ATOM     11  C   LIG    1       -4.776  -2.804   0.084  0.00  0.00    +0.137 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.665  -1.725  -0.432  0.00  0.00    -0.030 C 
ATOM     13  C   LIG    1       -5.446  -0.476   0.017  0.00  0.00    +0.012 C 
ATOM     14  C   LIG    1       -6.736  -2.176  -1.375  0.00  0.00    +0.045 C 
BRANCH  13  15
ATOM     15  C   LIG    1       -6.214   0.698  -0.398  0.00  0.00    -0.025 A 
ATOM     16  C   LIG    1       -7.384   1.061   0.278  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -8.095   2.195  -0.119  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -7.646   2.963  -1.194  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -6.487   2.596  -1.878  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -5.770   1.468  -1.480  0.00  0.00    +0.008 A 
ENDBRANCH  13  15
ENDBRANCH  11  12
ENDBRANCH   7  10
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  N   LIG    1        3.005  -2.247   0.270  0.00  0.00    -0.238 N 
ATOM     22  H   LIG    1        3.489  -2.804  -0.433  0.00  0.00    +0.174 HD
BRANCH  21  24
ATOM     23  C   LIG    1        4.549  -0.630   0.218  0.00  0.00    +0.133 C 
ATOM     24  N   LIG    1        3.291  -0.915   0.313  0.00  0.00    -0.190 NA
BRANCH  23  26
ATOM     25  C   LIG    1        4.036   1.859   0.191  0.00  0.00    +0.045 C 
ATOM     26  C   LIG    1        5.063   0.768   0.220  0.00  0.00    -0.030 C 
ATOM     27  C   LIG    1        6.401   0.907   0.224  0.00  0.00    +0.012 C 
BRANCH  27  28
ATOM     28  C   LIG    1        7.103   2.196   0.235  0.00  0.00    -0.025 A 
ATOM     29  C   LIG    1        7.846   2.588  -0.883  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        8.510   3.815  -0.889  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        8.444   4.649   0.229  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.720   4.255   1.353  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        7.051   3.032   1.357  0.00  0.00    +0.008 A 
ENDBRANCH  27  28
ENDBRANCH  23  26
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 8