REMARK  Name = BDB046351
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.961   0.008  -0.335  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -5.750  -0.018  -0.149  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1       -5.041   1.053   0.590  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -3.649   0.963   0.773  0.00  0.00    -0.007 A 
ATOM      5  C   LIG    1       -3.021   1.990   1.498  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -3.757   3.066   2.010  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -5.133   3.137   1.812  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.910  -0.197   0.207  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1       -1.407  -0.258   0.364  0.00  0.00    +0.146 C 
ATOM     10  N   LIG    1       -0.777  -1.368  -0.404  0.00  0.00    -0.176 NA
ATOM     11  C   LIG    1       -1.587  -2.611  -0.375  0.00  0.00    +0.115 C 
ATOM     12  C   LIG    1       -2.955  -2.380  -1.009  0.00  0.00    +0.070 C 
ATOM     13  C   LIG    1       -3.611  -1.149  -0.442  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -5.779   2.129   1.102  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -4.972  -1.054  -0.604  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1       -5.476  -1.770  -1.115  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  10  17
ATOM     17  S   LIG    1       -0.077  -0.968  -1.895  0.00  0.00    +0.033 S 
ATOM     18  O   LIG    1        0.370  -2.196  -2.519  0.00  0.00    -0.158 OA
ATOM     19  O   LIG    1       -0.988  -0.082  -2.586  0.00  0.00    -0.158 OA
BRANCH  17  20
ATOM     20  C   LIG    1        1.375  -0.035  -1.425  0.00  0.00    +0.200 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.326  -0.869  -0.574  0.00  0.00    +0.108 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.483  -0.090  -0.088  0.00  0.00    -0.301 NA
ATOM     23  C   LIG    1        4.254  -0.847   0.902  0.00  0.00    +0.084 C 
ATOM     24  C   LIG    1        5.268   0.068   1.600  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1        5.913   1.084   0.657  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        5.804   0.629  -0.790  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1        4.343   0.383  -1.191  0.00  0.00    +0.084 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  10  17
TORSDOF 4