REMARK  Name = BDB033597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.868  -0.946  -1.573  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.504  -0.651  -1.359  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.981  -1.772  -0.708  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.297  -1.946  -0.293  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.182  -0.893  -0.573  0.00  0.00    -0.035 A 
ATOM      6  C   LIG    1        2.721   0.267  -1.230  0.00  0.00    +0.050 A 
ATOM      7  O   LIG    1       -0.033  -2.660  -0.536  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.379   0.421  -1.623  0.00  0.00    +0.138 A 
ATOM      9  N   LIG    1       -1.198  -2.140  -1.072  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.751  -0.084  -2.209  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.422   0.851  -2.438  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -3.415  -0.217  -2.138  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -3.936   1.043  -2.636  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.773  -1.460  -2.788  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.229   0.701   0.442  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.785  -0.270  -0.406  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.625  -1.247   0.134  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -4.887  -1.264   1.510  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.289  -0.330   2.355  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -3.457   0.650   1.821  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.066   2.955  -0.017  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.408   1.685  -0.049  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -5.311  -2.128  -0.654  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -4.774  -3.449  -0.543  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  25
ATOM     25  C   LIG    1        4.635  -0.987  -0.153  0.00  0.00    +0.090 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.970  -0.114   1.034  0.00  0.00    +0.046 A 
ATOM     27  N   LIG    1        5.545   1.088   0.776  0.00  0.00    -0.260 NA
ATOM     28  C   LIG    1        5.837   1.878   1.834  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1        5.574   1.533   3.148  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        4.976   0.304   3.397  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        4.667  -0.533   2.329  0.00  0.00    +0.023 A 
ENDBRANCH  25  26
ENDBRANCH   5  25
BRANCH   8  32
ATOM     32  O   LIG    1        0.857   1.523  -2.246  0.00  0.00    -0.461 OA
BRANCH  32  33
ATOM     33  C   LIG    1        1.660   2.697  -2.260  0.00  0.00    +0.444 C 
ATOM     34  F   LIG    1        2.669   2.518  -3.150  0.00  0.00    -0.204 F 
ENDBRANCH  32  33
ENDBRANCH   8  32
TORSDOF 9