REMARK  Name = BDB023374
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.874   1.145   2.465  0.00  0.00    +0.078 S 
ATOM      2  O   LIG    1       -1.921   0.001   3.353  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -2.038   2.483   2.992  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1       -3.014  -0.252   0.375  0.00  0.00    +0.147 A 
ATOM      5  C   LIG    1       -3.080   0.877   1.196  0.00  0.00    +0.153 A 
ATOM      6  C   LIG    1       -4.109   1.817   1.040  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1       -5.077   1.649   0.049  0.00  0.00    +0.132 A 
ATOM      8  C   LIG    1       -4.999   0.538  -0.790  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -3.969  -0.401  -0.633  0.00  0.00    +0.051 A 
BRANCH   4  10
ATOM     10  O   LIG    1       -1.969  -1.121   0.528  0.00  0.00    -0.490 OA
BRANCH  10  12
ATOM     11  C   LIG    1       -2.995  -2.962   1.767  0.00  0.00    +0.048 C 
ATOM     12  C   LIG    1       -2.291  -2.517   0.496  0.00  0.00    +0.226 C 
ENDBRANCH  10  12
ENDBRANCH   4  10
BRANCH   7  13
ATOM     13  O   LIG    1       -6.019   2.635   0.007  0.00  0.00    -0.406 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -7.034   2.543  -0.978  0.00  0.00    +0.575 C 
ATOM     15  F   LIG    1       -7.863   3.603  -0.852  0.00  0.00    -0.133 F 
ATOM     16  F   LIG    1       -6.509   2.565  -2.222  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1       -7.764   1.418  -0.819  0.00  0.00    -0.133 F 
ENDBRANCH  13  14
ENDBRANCH   7  13
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  N   LIG    1       -0.419   1.081   1.684  0.00  0.00    -0.179 N 
ATOM     19  H   LIG    1        0.131   0.254   1.897  0.00  0.00    +0.177 HD
ATOM     20  C   LIG    1       -0.097   1.833   0.552  0.00  0.00    +0.298 C 
ATOM     21  O   LIG    1       -0.809   2.719   0.105  0.00  0.00    -0.265 OA
BRANCH  20  22
ATOM     22  C   LIG    1        1.157   1.419  -0.040  0.00  0.00    +0.192 A 
ATOM     23  O   LIG    1        1.853   0.372   0.514  0.00  0.00    -0.450 OA
ATOM     24  C   LIG    1        2.976   0.194  -0.234  0.00  0.00    +0.139 A 
ATOM     25  C   LIG    1        3.014   1.112  -1.272  0.00  0.00    +0.056 A 
ATOM     26  C   LIG    1        4.108   1.060  -2.143  0.00  0.00    +0.134 A 
ATOM     27  C   LIG    1        5.112   0.106  -1.944  0.00  0.00    +0.043 A 
ATOM     28  C   LIG    1        5.064  -0.811  -0.878  0.00  0.00    -0.038 A 
ATOM     29  F   LIG    1        4.204   1.913  -3.172  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        3.958  -0.769  -0.005  0.00  0.00    +0.051 A 
ATOM     31  C   LIG    1        1.841   1.897  -1.143  0.00  0.00    +0.066 A 
BRANCH  28  32
ATOM     32  C   LIG    1        6.156  -1.840  -0.692  0.00  0.00    +0.019 C 
ATOM     33  C   LIG    1        6.878  -1.946   0.631  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        7.596  -1.400  -0.565  0.00  0.00    +0.009 C 
ENDBRANCH  28  32
ENDBRANCH  20  22
ENDBRANCH   1  18
TORSDOF 8