REMARK  Name = BDB057664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.308  -1.621   0.783  0.00  0.00    -0.221 N 
ATOM      2  C   LIG    1        0.224  -0.820   0.521  0.00  0.00    +0.237 C 
ATOM      3  O   LIG    1        0.023   0.254   1.081  0.00  0.00    -0.274 OA
ATOM      4  C   LIG    1       -0.682  -1.409  -0.546  0.00  0.00    +0.146 C 
ATOM      5  S   LIG    1       -0.010  -3.075  -0.862  0.00  0.00    -0.054 S 
ATOM      6  C   LIG    1        1.406  -2.804   0.117  0.00  0.00    +0.282 C 
ATOM      7  O   LIG    1        2.326  -3.603   0.184  0.00  0.00    -0.262 OA
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1        2.380  -1.173   1.654  0.00  0.00    +0.237 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.396  -0.398   0.831  0.00  0.00    +0.325 C 
ATOM     10  O   LIG    1        3.314  -0.185  -0.373  0.00  0.00    -0.249 OA
BRANCH   9  11
ATOM     11  O   LIG    1        4.409   0.028   1.639  0.00  0.00    -0.464 OA
BRANCH  11  13
ATOM     12  C   LIG    1        5.075   2.248   0.936  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1        5.449   0.778   0.994  0.00  0.00    +0.229 C 
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   4  14
ATOM     14  C   LIG    1       -2.140  -1.487  -0.085  0.00  0.00    +0.059 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.941  -0.279  -0.517  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1       -3.539  -0.245  -1.783  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -4.267   0.876  -2.194  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -4.444   1.965  -1.340  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1       -3.793   1.956  -0.105  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1       -3.066   0.838   0.315  0.00  0.00    +0.005 A 
BRANCH  18  21
ATOM     21  N   LIG    1       -5.070   3.130  -1.800  0.00  0.00    -0.358 N 
ATOM     22  H   LIG    1       -5.422   3.724  -1.058  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1       -5.762   2.963  -2.524  0.00  0.00    +0.142 HD
ENDBRANCH  18  21
ENDBRANCH  14  15
ENDBRANCH   4  14
TORSDOF 7