REMARK  Name = BDB032658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.637   0.256  -0.175  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1        0.920  -0.871  -0.451  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1       -0.239  -0.530  -1.123  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1       -0.214   0.797  -1.247  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1        0.945   1.343  -0.656  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        3.783  -0.970   0.302  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1        2.879   0.080   0.569  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1        3.184   1.001   1.589  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        4.361   0.893   2.347  0.00  0.00    +0.056 A 
ATOM     10  C   LIG    1        5.236  -0.164   2.079  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1        4.953  -1.083   1.063  0.00  0.00    +0.047 A 
BRANCH   9  12
ATOM     12  C   LIG    1        4.651   1.875   3.455  0.00  0.00    +0.417 C 
ATOM     13  F   LIG    1        4.171   3.124   3.195  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1        5.982   2.031   3.698  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        4.094   1.499   4.638  0.00  0.00    -0.166 F 
ENDBRANCH   9  12
BRANCH   6  17
ATOM     16  C   LIG    1        4.279  -2.955  -0.943  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        3.463  -1.810  -0.733  0.00  0.00    -0.494 OA
ENDBRANCH   6  17
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  N   LIG    1       -1.200   1.558  -1.852  0.00  0.00    -0.197 N 
ATOM     19  H   LIG    1       -1.205   2.566  -1.738  0.00  0.00    +0.175 HD
BRANCH  18  20
ATOM     20  S   LIG    1       -2.682   0.951  -2.348  0.00  0.00    +0.081 S 
ATOM     21  O   LIG    1       -3.499   2.115  -2.644  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -2.418  -0.030  -3.380  0.00  0.00    -0.150 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.369   0.201  -0.900  0.00  0.00    +0.191 A 
ATOM     24  C   LIG    1       -3.892  -1.095  -0.924  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -4.419  -1.660   0.245  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -4.399  -0.950   1.444  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -3.886   0.344   1.472  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -3.401   0.931   0.298  0.00  0.00    +0.150 A 
BRANCH  24  29
ATOM     29  O   LIG    1       -4.021  -1.801  -2.087  0.00  0.00    -0.493 OA
ATOM     30  C   LIG    1       -3.078  -2.874  -2.148  0.00  0.00    +0.277 C 
ENDBRANCH  24  29
BRANCH  28  31
ATOM     31  O   LIG    1       -2.907   2.211   0.359  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -3.969   3.155   0.533  0.00  0.00    +0.277 C 
ENDBRANCH  28  31
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   4  18
TORSDOF 8