REMARK  Name = BDB028659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.185   0.183  -1.053  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1       -0.460  -0.312   0.046  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -0.951  -0.126   1.323  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1       -0.092  -0.676   2.221  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1        0.983  -1.233   1.549  0.00  0.00    -0.060 NA
ATOM      6  C   LIG    1       -2.141   0.529   1.625  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.870   1.032   0.536  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1        0.749  -1.027   0.251  0.00  0.00    +0.192 A 
ATOM      9  C   LIG    1       -2.386   0.863  -0.780  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -1.530   0.201  -3.405  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -0.657  -0.021  -2.300  0.00  0.00    -0.494 OA
ENDBRANCH   1  11
BRANCH   8  12
ATOM     12  N   LIG    1        1.590  -1.423  -0.776  0.00  0.00    -0.196 N 
ATOM     13  H   LIG    1        1.349  -1.176  -1.734  0.00  0.00    +0.175 HD
BRANCH  12  14
ATOM     14  S   LIG    1        2.931  -2.392  -0.598  0.00  0.00    +0.076 S 
ATOM     15  O   LIG    1        2.546  -3.609   0.079  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        3.533  -2.455  -1.917  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        4.016  -1.422   0.393  0.00  0.00    +0.144 A 
ATOM     18  C   LIG    1        4.373  -1.829   1.670  0.00  0.00    +0.150 A 
ATOM     19  F   LIG    1        3.915  -2.964   2.210  0.00  0.00    -0.203 F 
ATOM     20  C   LIG    1        5.234  -1.045   2.434  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        5.751   0.143   1.914  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        5.422   0.550   0.615  0.00  0.00    -0.048 A 
ATOM     23  C   LIG    1        5.959   1.837   0.062  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        4.543  -0.236  -0.142  0.00  0.00    +0.035 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH   7  25
ATOM     25  C   LIG    1       -4.174   1.764   0.772  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -5.308   1.027   0.231  0.00  0.00    -0.267 N 
ATOM     27  N   LIG    1       -5.796   1.335  -0.990  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1       -6.816   0.488  -1.145  0.00  0.00    +0.134 A 
ATOM     29  C   LIG    1       -6.988  -0.355  -0.032  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1       -5.999   0.020   0.846  0.00  0.00    +0.108 A 
ENDBRANCH  25  26
ENDBRANCH   7  25
TORSDOF 6