REMARK  Name = BDB032652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.240  -0.259  -0.421  0.00  0.00    +0.137 A 
ATOM      2  S   LIG    1        1.326  -0.898   0.894  0.00  0.00    -0.029 S 
ATOM      3  C   LIG    1       -0.060  -0.714  -0.084  0.00  0.00    +0.201 A 
ATOM      4  N   LIG    1        0.170  -0.257  -1.291  0.00  0.00    -0.124 NA
ATOM      5  N   LIG    1        1.507   0.042  -1.477  0.00  0.00    -0.139 NA
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        4.614  -0.955   0.123  0.00  0.00    +0.130 A 
ATOM      7  C   LIG    1        3.678   0.009  -0.304  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        4.132   1.293  -0.669  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        5.487   1.643  -0.585  0.00  0.00    +0.056 A 
ATOM     10  C   LIG    1        6.400   0.677  -0.147  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1        5.969  -0.607   0.203  0.00  0.00    +0.047 A 
BRANCH   9  12
ATOM     12  C   LIG    1        5.954   3.018  -0.997  0.00  0.00    +0.417 C 
ATOM     13  F   LIG    1        6.238   3.090  -2.326  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1        7.088   3.409  -0.351  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        5.034   3.991  -0.754  0.00  0.00    -0.166 F 
ENDBRANCH   9  12
BRANCH   6  17
ATOM     16  C   LIG    1        5.054  -3.198   0.836  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        4.129  -2.205   0.412  0.00  0.00    -0.494 OA
ENDBRANCH   6  17
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  N   LIG    1       -1.387  -1.151   0.327  0.00  0.00    -0.192 N 
ATOM     19  H   LIG    1       -1.310  -1.975   0.920  0.00  0.00    +0.176 HD
BRANCH  18  20
ATOM     20  S   LIG    1       -2.134   0.031   1.296  0.00  0.00    +0.081 S 
ATOM     21  O   LIG    1       -1.538   1.336   1.099  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -2.106  -0.589   2.607  0.00  0.00    -0.150 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.795   0.074   0.650  0.00  0.00    +0.191 A 
ATOM     24  C   LIG    1       -4.907  -0.153   1.481  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -6.189  -0.124   0.916  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -6.363   0.142  -0.441  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -5.261   0.390  -1.254  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -3.970   0.364  -0.720  0.00  0.00    +0.150 A 
BRANCH  24  29
ATOM     29  O   LIG    1       -4.689  -0.385   2.808  0.00  0.00    -0.493 OA
ATOM     30  C   LIG    1       -5.806  -0.516   3.677  0.00  0.00    +0.277 C 
ENDBRANCH  24  29
BRANCH  28  31
ATOM     31  O   LIG    1       -2.848   0.617  -1.457  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -2.981   0.906  -2.841  0.00  0.00    +0.277 C 
ENDBRANCH  28  31
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 8