REMARK  Name = BDB058088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.435   0.709  -0.318  0.00  0.00    +0.132 C 
ATOM      2  C   LIG    1       -1.976   0.932  -0.453  0.00  0.00    +0.060 C 
ATOM      3  C   LIG    1       -2.876   0.027   0.427  0.00  0.00    +0.032 C 
ATOM      4  C   LIG    1       -2.889  -1.455   0.034  0.00  0.00    +0.019 C 
ATOM      5  C   LIG    1       -4.321   0.559   0.330  0.00  0.00    +0.019 C 
ATOM      6  C   LIG    1       -2.412   0.105   1.883  0.00  0.00    +0.179 C 
ATOM      7  O   LIG    1       -3.194  -0.050   2.821  0.00  0.00    -0.291 OA
ATOM      8  C   LIG    1       -0.964   0.321   2.156  0.00  0.00    +0.094 C 
ATOM      9  C   LIG    1       -0.105   0.574   1.153  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        0.067  -0.484  -1.183  0.00  0.00    +0.085 A 
ATOM     11  C   LIG    1        1.386  -1.001  -1.147  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        1.717  -2.055  -2.019  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1        0.775  -2.554  -2.898  0.00  0.00    +0.142 A 
ATOM     14  F   LIG    1        1.085  -3.552  -3.733  0.00  0.00    -0.204 F 
ATOM     15  C   LIG    1       -0.479  -1.994  -2.902  0.00  0.00    +0.149 A 
ATOM     16  N   LIG    1       -0.843  -0.982  -2.079  0.00  0.00    -0.253 NA
BRANCH  11  17
ATOM     17  C   LIG    1        2.458  -0.491  -0.296  0.00  0.00    +0.041 A 
ATOM     18  S   LIG    1        3.058  -1.433   1.012  0.00  0.00    -0.072 S 
ATOM     19  C   LIG    1        4.159  -0.172   1.405  0.00  0.00    +0.076 A 
ATOM     20  C   LIG    1        5.072  -0.319   2.571  0.00  0.00    +0.073 C 
ATOM     21  N   LIG    1        4.118   0.881   0.618  0.00  0.00    -0.252 NA
ATOM     22  C   LIG    1        3.165   0.693  -0.365  0.00  0.00    +0.127 A 
ENDBRANCH  11  17
ENDBRANCH   1  10
BRANCH   1  24
ATOM     23  C   LIG    1       -0.037   3.139  -0.426  0.00  0.00    +0.195 C 
ATOM     24  O   LIG    1        0.302   1.829  -0.855  0.00  0.00    -0.366 OA
ENDBRANCH   1  24
BRANCH   8  25
ATOM     25  C   LIG    1       -0.505   0.270   3.503  0.00  0.00    +0.102 C 
ATOM     26  N   LIG    1       -0.063   0.238   4.575  0.00  0.00    -0.191 NA
ENDBRANCH   8  25
TORSDOF 4