REMARK  Name = BDB053460
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.495  -0.338   0.021  0.00  0.00    +0.167 A 
ATOM      2  C   LIG    1        0.175  -0.846   0.379  0.00  0.00    +0.179 A 
ATOM      3  N   LIG    1       -0.951  -0.113   0.093  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -2.020  -0.851   0.549  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1       -1.454  -1.995   1.086  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1       -0.816   1.109  -0.537  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1        0.420   1.535  -0.847  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1       -0.085  -1.988   0.978  0.00  0.00    -0.232 NA
ATOM      9  N   LIG    1        1.577   0.830  -0.578  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -3.539  -0.545   0.510  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -4.175   0.560  -0.002  0.00  0.00    +0.118 A 
ATOM     12  N   LIG    1       -5.513   0.356   0.204  0.00  0.00    -0.274 N 
ATOM     13  C   LIG    1       -6.594   1.239  -0.161  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1       -5.789  -0.809   0.815  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1       -4.585  -1.356   1.001  0.00  0.00    +0.144 A 
ENDBRANCH   4  10
BRANCH   1  16
ATOM     16  N   LIG    1        2.599  -1.111   0.328  0.00  0.00    -0.290 N 
ATOM     17  H   LIG    1        2.343  -1.982   0.790  0.00  0.00    +0.154 HD
BRANCH  16  22
ATOM     18  C   LIG    1        7.007   0.909  -1.033  0.00  0.00    +0.066 C 
ATOM     19  C   LIG    1        5.998  -0.032  -0.478  0.00  0.00    +0.049 A 
ATOM     20  N   LIG    1        6.423  -1.171   0.067  0.00  0.00    -0.214 NA
ATOM     21  S   LIG    1        5.114  -2.029   0.602  0.00  0.00    +0.027 S 
ATOM     22  C   LIG    1        3.919  -0.890   0.116  0.00  0.00    +0.091 A 
ATOM     23  C   LIG    1        4.580   0.170  -0.472  0.00  0.00    +0.055 A 
ENDBRANCH  16  22
ENDBRANCH   1  16
TORSDOF 3