REMARK  Name = BDB057394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.437   0.696   0.232  0.00  0.00    +0.140 C 
ATOM      2  N   LIG    1        3.130   0.049   0.105  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1        3.053  -1.296  -0.234  0.00  0.00    +0.146 C 
ATOM      4  S   LIG    1        4.340  -2.331  -0.533  0.00  0.00    -0.018 S 
ATOM      5  N   LIG    1        1.802  -1.836  -0.335  0.00  0.00    -0.263 N 
ATOM      6  H   LIG    1        1.742  -2.816  -0.581  0.00  0.00    +0.157 HD
ATOM      7  C   LIG    1        0.596  -1.224  -0.145  0.00  0.00    +0.255 C 
ATOM      8  O   LIG    1       -0.440  -1.863  -0.277  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.682   0.206   0.215  0.00  0.00    +0.100 C 
ATOM     10  C   LIG    1       -0.395   0.986   0.444  0.00  0.00    +0.026 C 
ATOM     11  C   LIG    1        2.017   0.858   0.342  0.00  0.00    +0.257 C 
ATOM     12  O   LIG    1        2.106   2.049   0.641  0.00  0.00    -0.269 OA
ENDROOT
BRANCH  10  13
ATOM     13  C   LIG    1       -1.804   0.593   0.385  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1       -2.518   0.711  -0.812  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -3.866   0.353  -0.863  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.506  -0.122   0.281  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.799  -0.240   1.477  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -2.451   0.117   1.531  0.00  0.00    +0.008 A 
ENDBRANCH  10  13
TORSDOF 1