REMARK  Name = BDB057957
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.633   0.043   0.161  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -1.634   0.428  -0.735  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -2.644  -0.472  -1.080  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -2.635  -1.760  -0.531  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -1.645  -2.137   0.381  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.647  -1.231   0.738  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  11
ATOM      7  N   LIG    1        4.602   0.487  -0.211  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1        4.117   1.011   1.083  0.00  0.00    +0.125 C 
ATOM      9  C   LIG    1        2.732   1.655   0.916  0.00  0.00    +0.127 C 
ATOM     10  N   LIG    1        1.736   0.700   0.420  0.00  0.00    -0.295 N 
ATOM     11  C   LIG    1        0.395   1.036   0.540  0.00  0.00    +0.247 C 
ATOM     12  O   LIG    1        0.005   2.126   0.953  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        2.263  -0.452  -0.325  0.00  0.00    +0.127 C 
ATOM     14  C   LIG    1        3.575  -0.139  -1.076  0.00  0.00    +0.125 C 
BRANCH   7  16
ATOM     15  C   LIG    1        6.647  -0.335  -1.296  0.00  0.00    +0.092 A 
ATOM     16  C   LIG    1        5.844  -0.156  -0.158  0.00  0.00    +0.139 A 
ATOM     17  N   LIG    1        6.277  -0.584   1.055  0.00  0.00    -0.239 NA
ATOM     18  C   LIG    1        7.473  -1.208   1.147  0.00  0.00    +0.113 A 
ATOM     19  C   LIG    1        8.304  -1.435   0.070  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1        7.883  -0.986  -1.173  0.00  0.00    +0.024 A 
BRANCH  15  22
ATOM     21  N   LIG    1        5.977   0.524  -3.649  0.00  0.00    -0.191 NA
ATOM     22  C   LIG    1        6.268   0.162  -2.584  0.00  0.00    +0.103 C 
ENDBRANCH  15  22
ENDBRANCH   7  16
ENDBRANCH   1  11
BRANCH   3  23
ATOM     23  S   LIG    1       -3.914   0.038  -2.223  0.00  0.00    -0.068 S 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.348  -0.225  -1.238  0.00  0.00    +0.130 A 
ATOM     25  C   LIG    1       -5.785   0.821  -0.286  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1       -6.917   0.532   0.478  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -7.404   1.453   1.414  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -6.755   2.675   1.587  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.627   2.974   0.826  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -7.607  -0.757   0.290  0.00  0.00    +0.273 A 
ATOM     31  O   LIG    1       -8.604  -1.050   0.941  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -7.071  -1.600  -0.652  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1       -7.538  -2.489  -0.803  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1       -5.142   2.055  -0.110  0.00  0.00    +0.011 A 
ATOM     35  N   LIG    1       -5.964  -1.356  -1.405  0.00  0.00    -0.164 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 5