REMARK  Name = BDB057358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.697  -0.762  -0.310  0.00  0.00    +0.190 A 
ATOM      2  N   LIG    1        3.361   0.310  -1.040  0.00  0.00    -0.204 NA
ATOM      3  C   LIG    1        2.087   0.764  -0.969  0.00  0.00    +0.146 A 
ATOM      4  N   LIG    1        1.878   1.938  -1.685  0.00  0.00    -0.321 N 
ATOM      5  H   LIG    1        2.757   2.239  -2.092  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        1.032   2.924  -1.346  0.00  0.00    +0.180 A 
ATOM      7  C   LIG    1       -0.201   2.757  -0.682  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1       -0.918   1.616  -0.347  0.00  0.00    -0.241 NA
ATOM      9  C   LIG    1       -0.336   0.466  -0.190  0.00  0.00    +0.084 A 
ATOM     10  C   LIG    1       -0.714   4.021  -0.519  0.00  0.00    +0.060 A 
ATOM     11  C   LIG    1       -1.981   4.508   0.064  0.00  0.00    +0.067 C 
ATOM     12  N   LIG    1        0.215   4.852  -1.078  0.00  0.00    -0.278 N 
ATOM     13  H   LIG    1        0.180   5.862  -1.157  0.00  0.00    +0.189 HD
ATOM     14  N   LIG    1        1.280   4.213  -1.592  0.00  0.00    -0.154 NA
ATOM     15  C   LIG    1        1.117   0.119  -0.225  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1        1.582  -0.959   0.511  0.00  0.00    +0.127 A 
ATOM     17  N   LIG    1        2.851  -1.419   0.489  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -1.293  -0.660   0.066  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -1.279  -1.802  -0.741  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1       -2.174  -2.842  -0.483  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.102  -2.738   0.563  0.00  0.00    -0.050 A 
ATOM     22  C   LIG    1       -4.044  -3.869   0.855  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -3.113  -1.585   1.359  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -2.220  -0.542   1.106  0.00  0.00    +0.010 A 
ENDBRANCH   9  18
BRANCH   1  26
ATOM     25  C   LIG    1        5.399  -2.608   0.820  0.00  0.00    +0.093 C 
ATOM     26  S   LIG    1        5.380  -1.310  -0.439  0.00  0.00    -0.089 S 
ENDBRANCH   1  26
TORSDOF 2