REMARK  Name = BDB054580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.248   1.068  -2.112  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1        0.145   0.965  -0.666  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -0.910   0.948   0.233  0.00  0.00    -0.232 NA
ATOM      4  C   LIG    1       -0.671   0.845   1.521  0.00  0.00    +0.167 A 
ATOM      5  C   LIG    1        0.712   0.753   1.967  0.00  0.00    +0.179 A 
ATOM      6  N   LIG    1        1.735   0.793   1.055  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1        2.903   0.710   1.780  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1        2.492   0.600   3.098  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1        1.125   0.629   3.211  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        1.437   0.896  -0.290  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        4.379   0.731   1.308  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        4.862   0.863   0.029  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1        6.228   0.821   0.128  0.00  0.00    -0.262 N 
ATOM     14  N   LIG    1        6.664   0.687   1.397  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1        5.536   0.629   2.110  0.00  0.00    +0.144 A 
BRANCH  13  16
ATOM     16  C   LIG    1        7.180   0.967  -0.955  0.00  0.00    +0.239 C 
BRANCH  16  17
ATOM     17  C   LIG    1        7.122  -0.212  -1.901  0.00  0.00    +0.237 C 
ATOM     18  N   LIG    1        7.941  -1.316  -1.667  0.00  0.00    -0.306 N 
ATOM     19  C   LIG    1        8.601  -1.595  -0.397  0.00  0.00    +0.131 C 
ATOM     20  C   LIG    1        7.830  -2.445  -2.578  0.00  0.00    +0.131 C 
ATOM     21  O   LIG    1        6.356  -0.165  -2.871  0.00  0.00    -0.274 OA
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   7  11
BRANCH   4  22
ATOM     22  N   LIG    1       -1.672   0.818   2.475  0.00  0.00    -0.290 N 
ATOM     23  H   LIG    1       -1.306   0.692   3.417  0.00  0.00    +0.154 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.014   0.953   2.345  0.00  0.00    +0.091 A 
ATOM     25  S   LIG    1       -4.071   0.833   3.695  0.00  0.00    +0.027 S 
ATOM     26  N   LIG    1       -5.475   1.101   2.864  0.00  0.00    -0.212 NA
ATOM     27  C   LIG    1       -5.190   1.266   1.569  0.00  0.00    +0.066 A 
ATOM     28  C   LIG    1       -3.796   1.205   1.235  0.00  0.00    +0.057 A 
BRANCH  27  29
ATOM     29  C   LIG    1       -6.307   1.548   0.596  0.00  0.00    +0.140 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -6.806   0.369  -0.126  0.00  0.00    -0.297 NA
ATOM     31  C   LIG    1       -7.575  -0.552   0.719  0.00  0.00    +0.085 C 
ATOM     32  C   LIG    1       -7.746  -1.948   0.098  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -7.798  -1.879  -1.422  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1       -6.547  -1.200  -1.986  0.00  0.00    +0.015 C 
ATOM     35  C   LIG    1       -5.828  -0.306  -0.968  0.00  0.00    +0.085 C 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 7