REMARK  Name = BDB050149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.778   0.522  -1.316  0.00  0.00    +0.140 A 
ATOM      2  N   LIG    1       -0.581   0.271  -0.851  0.00  0.00    -0.150 NA
ATOM      3  N   LIG    1        0.150   1.385  -0.526  0.00  0.00    -0.209 N 
ATOM      4  C   LIG    1       -0.251   2.704  -0.667  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        0.680   3.546  -0.280  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        1.724   2.752   0.113  0.00  0.00    +0.143 A 
ATOM      7  C   LIG    1       -1.532   2.939  -1.202  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        1.428   1.402   0.002  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -2.303   1.900  -1.537  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.257   0.248   0.322  0.00  0.00    +0.096 A 
ATOM     11  N   LIG    1        3.575   0.522   0.340  0.00  0.00    -0.210 NA
ATOM     12  C   LIG    1        4.375  -0.516   0.642  0.00  0.00    +0.271 A 
ATOM     13  N   LIG    1        4.010  -1.779   0.941  0.00  0.00    -0.220 NA
ATOM     14  C   LIG    1        2.684  -1.987   0.921  0.00  0.00    +0.116 A 
ATOM     15  C   LIG    1        1.760  -1.008   0.621  0.00  0.00    +0.050 A 
BRANCH  12  16
ATOM     16  S   LIG    1        6.123  -0.165   0.668  0.00  0.00    +0.029 S 
ATOM     17  O   LIG    1        6.561   0.088  -0.695  0.00  0.00    -0.167 OA
ATOM     18  O   LIG    1        6.383   0.795   1.731  0.00  0.00    -0.167 OA
ATOM     19  C   LIG    1        6.869  -1.692   1.170  0.00  0.00    +0.204 C 
ENDBRANCH  12  16
ENDBRANCH   8  10
BRANCH   1  20
ATOM     20  N   LIG    1       -2.516  -0.593  -1.641  0.00  0.00    -0.323 N 
ATOM     21  H   LIG    1       -1.878  -1.388  -1.621  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  CA  LIG    1       -3.764  -0.988  -0.968  0.00  0.00    +0.097 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -3.447  -0.191   1.490  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -3.537  -1.355   0.513  0.00  0.00    +0.021 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1       -4.938  -0.029  -1.219  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -6.173  -0.603  -0.796  0.00  0.00    -0.393 OA
ATOM     27  H   LIG    1       -6.412  -1.295  -1.438  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7