REMARK  Name = BDB055696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.385  -0.569   0.088  0.00  0.00    +0.054 C 
ATOM      2  C   LIG    1       -2.785  -1.158   0.324  0.00  0.00    -0.026 A 
ATOM      3  C   LIG    1       -3.553  -0.610   1.379  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1       -4.811  -1.133   1.694  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -5.334  -2.186   0.946  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -4.609  -2.705  -0.123  0.00  0.00    +0.000 A 
ATOM      7  S   LIG    1       -2.964   0.832   2.278  0.00  0.00    -0.089 S 
ATOM      8  C   LIG    1       -2.173   1.681   0.905  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -2.290   3.073   0.821  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -1.803   3.746  -0.296  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -1.222   3.027  -1.338  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -1.096   1.637  -1.255  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -3.346  -2.193  -0.438  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -1.528   0.944  -0.116  0.00  0.00    -0.026 A 
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1       -0.477  -1.352  -0.905  0.00  0.00    +0.045 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.028  -1.382  -0.549  0.00  0.00    +0.129 C 
BRANCH  16  17
ATOM     17  O   LIG    1        1.168  -2.036   0.720  0.00  0.00    -0.390 OA
ATOM     18  H   LIG    1        0.981  -2.980   0.581  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1        1.718  -0.000  -0.511  0.00  0.00    +0.115 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.192  -0.065  -0.534  0.00  0.00    -0.300 NA
ATOM     21  C   LIG    1        3.783   1.276  -0.592  0.00  0.00    +0.084 C 
ATOM     22  C   LIG    1        5.242   1.010  -0.267  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1        5.218  -0.197   0.661  0.00  0.00    +0.017 C 
ATOM     24  C   LIG    1        3.769  -0.674   0.668  0.00  0.00    +0.084 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5