REMARK  Name = BDB057640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.179   0.005   1.225  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -1.458   0.501   0.928  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -2.531  -0.374   0.706  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -2.287  -1.752   0.825  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1       -3.331  -2.655   0.634  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -3.173  -3.651   0.714  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -4.611  -2.287   0.349  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1       -4.900  -0.822   0.240  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -6.356  -0.540  -0.020  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1       -6.848   1.175   0.307  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1       -5.441   1.976  -0.489  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -4.134   1.576   0.193  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1       -5.483  -3.134   0.178  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -1.019  -2.250   1.144  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -3.905   0.087   0.371  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1        0.038  -1.368   1.352  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  21
ATOM     17  N   LIG    1        4.596   0.996  -0.853  0.00  0.00    -0.300 NA
ATOM     18  C   LIG    1        3.294   0.622  -1.425  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1        2.292   0.006  -0.429  0.00  0.00    +0.123 C 
ATOM     20  N   LIG    1        2.106   0.835   0.770  0.00  0.00    -0.295 N 
ATOM     21  C   LIG    1        0.914   0.973   1.470  0.00  0.00    +0.247 C 
ATOM     22  O   LIG    1        0.710   1.865   2.290  0.00  0.00    -0.270 OA
ATOM     23  C   LIG    1        3.205   1.747   1.095  0.00  0.00    +0.123 C 
ATOM     24  C   LIG    1        4.559   1.209   0.604  0.00  0.00    +0.103 C 
BRANCH  17  26
ATOM     25  C   LIG    1        5.653  -1.308  -0.965  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1        5.724   0.179  -1.301  0.00  0.00    +0.081 C 
ENDBRANCH  17  26
ENDBRANCH   1  21
TORSDOF 2