REMARK  Name = BDB048270
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.254  -2.074  -0.052  0.00  0.00    -0.225 NA
ATOM      2  C   LIG    1        0.027  -1.912  -0.111  0.00  0.00    +0.168 C 
ATOM      3  N   LIG    1        0.893  -2.975  -0.079  0.00  0.00    -0.249 N 
ATOM      4  C   LIG    1        0.416  -4.337   0.029  0.00  0.00    +0.140 C 
ATOM      5  C   LIG    1        2.238  -2.688  -0.149  0.00  0.00    +0.259 C 
ATOM      6  O   LIG    1        3.157  -3.496  -0.129  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        2.437  -1.216  -0.254  0.00  0.00    +0.078 C 
ATOM      8  C   LIG    1        3.663  -0.676  -0.319  0.00  0.00    +0.028 C 
ATOM      9  S   LIG    1        0.919  -0.411  -0.240  0.00  0.00    -0.049 S 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -4.785   2.425  -0.236  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -3.853   1.246  -0.160  0.00  0.00    -0.047 A 
ATOM     12  C   LIG    1       -3.352   0.784   1.074  0.00  0.00    -0.046 A 
ATOM     13  C   LIG    1       -3.724   1.448   2.371  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -2.486  -0.322   1.092  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -2.104  -0.961  -0.090  0.00  0.00    +0.067 A 
ATOM     16  C   LIG    1       -2.623  -0.514  -1.303  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -3.485   0.583  -1.340  0.00  0.00    +0.006 A 
ENDBRANCH   1  15
BRANCH   8  18
ATOM     18  C   LIG    1        3.984   0.752  -0.408  0.00  0.00    -0.021 A 
ATOM     19  C   LIG    1        4.770   1.338   0.585  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        5.082   2.683   0.471  0.00  0.00    +0.111 A 
ATOM     21  N   LIG    1        4.676   3.464  -0.552  0.00  0.00    -0.263 NA
ATOM     22  C   LIG    1        3.926   2.872  -1.506  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1        3.562   1.536  -1.482  0.00  0.00    +0.027 A 
ENDBRANCH   8  18
TORSDOF 2