REMARK  Name = BDB057100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.835   0.302  -0.527  0.00  0.00    +0.070 C 
ATOM      2  S   LIG    1       -1.534   1.143  -1.807  0.00  0.00    -0.038 S 
ENDROOT
BRANCH   1   4
ATOM      3  N   LIG    1       -3.077  -0.329   0.513  0.00  0.00    -0.315 N 
ATOM      4  C   LIG    1       -1.631  -0.611   0.446  0.00  0.00    +0.128 C 
ATOM      5  C   LIG    1       -1.540  -2.072  -0.005  0.00  0.00    +0.062 C 
ATOM      6  C   LIG    1       -2.780  -2.258  -0.869  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1       -3.822  -1.399  -0.151  0.00  0.00    +0.137 C 
BRANCH   3   8
ATOM      8  C   LIG    1       -3.636   0.723   1.234  0.00  0.00    +0.072 C 
ATOM      9  S   LIG    1       -2.735   1.730   2.255  0.00  0.00    -0.038 S 
BRANCH   8  10
ATOM     10  C   LIG    1       -5.146   1.054   1.056  0.00  0.00    +0.122 C 
ATOM     11  C   LIG    1       -6.076  -0.034   1.585  0.00  0.00    +0.035 C 
BRANCH  10  14
ATOM     12  C   LIG    1       -6.504   2.395  -2.228  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -6.530   1.976  -0.782  0.00  0.00    +0.210 C 
ATOM     14  N   LIG    1       -5.367   1.381  -0.352  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -4.539   1.515  -0.923  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1       -7.508   2.164  -0.067  0.00  0.00    -0.276 OA
ENDBRANCH  10  14
ENDBRANCH   8  10
ENDBRANCH   3   8
BRANCH   6  17
ATOM     17  O   LIG    1       -3.137  -3.629  -0.914  0.00  0.00    -0.390 OA
ATOM     18  H   LIG    1       -3.911  -3.717  -1.497  0.00  0.00    +0.210 HD
ENDBRANCH   6  17
ENDBRANCH   1   4
BRANCH   1  19
ATOM     19  N   LIG    1        0.527   0.376  -0.402  0.00  0.00    -0.336 N 
ATOM     20  H   LIG    1        0.977   1.027  -1.038  0.00  0.00    +0.147 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.309  -0.066   0.737  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.780   0.088   0.465  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        3.474   1.217   0.917  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.836   1.371   0.639  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        5.526   0.404  -0.103  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1        4.829  -0.721  -0.562  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        3.467  -0.875  -0.286  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.952   0.551  -0.390  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        8.024  -0.269  -0.062  0.00  0.00    +0.053 A 
ATOM     30  C   LIG    1        7.978  -1.532   0.721  0.00  0.00    +0.067 C 
ATOM     31  N   LIG    1        9.259   0.167  -0.523  0.00  0.00    -0.252 NA
ATOM     32  C   LIG    1        9.112   1.295  -1.180  0.00  0.00    +0.156 A 
ATOM     33  S   LIG    1        7.517   1.903  -1.292  0.00  0.00    -0.075 S 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 9