REMARK  Name = BDB063674
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.425   1.241  -0.405  0.00  0.00    -0.020 A 
ATOM      2  C   LIG    1       -2.204  -0.171  -0.528  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1       -1.069  -0.366  -1.325  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1       -0.585  -1.654  -1.611  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -1.267  -2.758  -1.081  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -2.396  -2.592  -0.285  0.00  0.00    +0.121 A 
ATOM      7  N   LIG    1       -0.632   0.894  -1.674  0.00  0.00    -0.218 N 
ATOM      8  C   LIG    1       -2.865  -1.303  -0.006  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -1.437   1.866  -1.140  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   7  10
ATOM     10  S   LIG    1        0.859   1.236  -2.426  0.00  0.00    +0.084 S 
ATOM     11  O   LIG    1        0.886   2.668  -2.658  0.00  0.00    -0.148 OA
ATOM     12  O   LIG    1        0.979   0.279  -3.510  0.00  0.00    -0.148 OA
BRANCH  10  13
ATOM     13  C   LIG    1        2.070   0.862  -1.188  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1        3.125  -0.001  -1.495  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1        4.078  -0.311  -0.518  0.00  0.00    +0.048 A 
ATOM     16  C   LIG    1        3.981   0.241   0.761  0.00  0.00    +0.130 A 
ATOM     17  C   LIG    1        2.923   1.112   1.051  0.00  0.00    +0.048 A 
ATOM     18  C   LIG    1        1.969   1.430   0.083  0.00  0.00    +0.032 A 
BRANCH  16  19
ATOM     19  O   LIG    1        4.833   0.025   1.806  0.00  0.00    -0.406 OA
BRANCH  19  20
ATOM     20  C   LIG    1        5.923  -0.856   1.601  0.00  0.00    +0.575 C 
ATOM     21  F   LIG    1        5.494  -2.095   1.279  0.00  0.00    -0.133 F 
ATOM     22  F   LIG    1        6.744  -0.398   0.632  0.00  0.00    -0.133 F 
ATOM     23  F   LIG    1        6.633  -0.943   2.747  0.00  0.00    -0.133 F 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH  10  13
ENDBRANCH   7  10
BRANCH   6  24
ATOM     24  O   LIG    1       -3.132  -3.596   0.284  0.00  0.00    -0.495 OA
ATOM     25  C   LIG    1       -2.716  -4.930   0.021  0.00  0.00    +0.277 C 
ENDBRANCH   6  24
BRANCH   1  26
ATOM     26  C   LIG    1       -3.490   1.923   0.398  0.00  0.00    +0.048 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.080   2.137   1.850  0.00  0.00    +0.125 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.013   3.188   1.965  0.00  0.00    +0.305 C 
ATOM     29  O   LIG    1       -0.814   2.996   2.085  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -2.508   4.438   1.904  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1       -1.721   5.017   1.986  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 9