REMARK  Name = BDB064558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.905  -1.492  -2.185  0.00  0.00    +0.037 C 
ATOM      2  S   LIG    1       -4.213   0.033  -1.437  0.00  0.00    -0.123 S 
ATOM      3  C   LIG    1       -3.468  -0.500   0.154  0.00  0.00    +0.100 C 
ATOM      4  C   LIG    1       -2.630  -1.755  -0.150  0.00  0.00    +0.055 C 
ATOM      5  C   LIG    1       -1.157  -1.491  -0.194  0.00  0.00    +0.008 C 
ATOM      6  C   LIG    1       -0.628  -0.316   0.184  0.00  0.00    +0.049 C 
ATOM      7  N   LIG    1       -1.475   0.816   0.705  0.00  0.00    -0.346 N 
ATOM      8  C   LIG    1       -0.755   2.019   1.208  0.00  0.00    +0.162 C 
ATOM      9  C   LIG    1       -0.171   2.813   0.036  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        0.454   2.035  -0.995  0.00  0.00    -0.489 OA
ATOM     11  C   LIG    1        1.329   1.103  -0.502  0.00  0.00    +0.133 A 
ATOM     12  C   LIG    1        2.694   1.348  -0.654  0.00  0.00    +0.095 A 
ATOM     13  C   LIG    1        3.558   0.388  -0.182  0.00  0.00    +0.170 A 
ATOM     14  O   LIG    1        4.915   0.449  -0.224  0.00  0.00    -0.452 OA
ATOM     15  C   LIG    1        5.270  -0.812   0.384  0.00  0.00    +0.466 C 
ATOM     16  O   LIG    1        4.120  -1.580   0.805  0.00  0.00    -0.453 OA
ATOM     17  C   LIG    1        3.104  -0.770   0.404  0.00  0.00    +0.167 A 
ATOM     18  C   LIG    1        1.758  -1.044   0.547  0.00  0.00    +0.063 A 
ATOM     19  C   LIG    1        0.836  -0.097   0.072  0.00  0.00    +0.044 A 
ATOM     20  C   LIG    1       -2.757   0.696   0.721  0.00  0.00    +0.074 C 
ATOM     21  C   LIG    1       -3.115  -2.295  -1.467  0.00  0.00    -0.011 C 
ENDROOT
TORSDOF 0