REMARK  Name = BDB050164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.410   0.002  -0.911  0.00  0.00    +0.140 A 
ATOM      2  N   LIG    1        0.795   0.170  -0.433  0.00  0.00    -0.150 NA
ATOM      3  N   LIG    1        1.731  -0.697  -0.921  0.00  0.00    -0.211 N 
ATOM      4  C   LIG    1        1.525  -1.705  -1.850  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        2.629  -2.374  -2.109  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        3.588  -1.782  -1.327  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1        0.221  -1.855  -2.360  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        3.067  -0.744  -0.583  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1       -0.748  -1.041  -1.929  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        3.853   0.161   0.421  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        3.281   1.188   1.139  0.00  0.00    +0.055 A 
ATOM     12  S   LIG    1        4.411   1.987   2.149  0.00  0.00    -0.104 S 
ATOM     13  C   LIG    1        5.677   0.962   1.632  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        5.246   0.033   0.710  0.00  0.00    +0.017 A 
ENDBRANCH   8  10
BRANCH   1  15
ATOM     15  N   LIG    1       -1.355   0.867  -0.420  0.00  0.00    -0.323 N 
ATOM     16  H   LIG    1       -0.983   1.436   0.341  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  CA  LIG    1       -2.776   0.581  -0.232  0.00  0.00    +0.097 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -4.387  -0.849   1.150  0.00  0.00    +0.006 C 
ATOM     19  C   LIG    1       -2.940  -0.449   0.901  0.00  0.00    +0.021 C 
ENDBRANCH  17  19
BRANCH  17  20
ATOM     20  C   LIG    1       -3.488   1.921   0.061  0.00  0.00    +0.178 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.018   2.484   1.286  0.00  0.00    -0.393 OA
ATOM     22  H   LIG    1       -3.438   3.357   1.379  0.00  0.00    +0.209 HD
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 6