REMARK  Name = BDB058361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.850  -0.812  -0.122  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.665  -2.221  -0.216  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1       -0.707  -2.427  -0.238  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1       -1.243  -3.717  -0.328  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -0.323  -4.760  -0.393  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        1.033  -4.470  -0.367  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -1.266  -1.167  -0.170  0.00  0.00    -0.193 N 
ATOM      8  C   LIG    1       -2.627  -0.803  -0.165  0.00  0.00    +0.281 C 
ATOM      9  O   LIG    1       -3.487  -1.681  -0.131  0.00  0.00    -0.265 OA
ATOM     10  N   LIG    1        1.569  -3.234  -0.281  0.00  0.00    -0.251 NA
ATOM     11  N   LIG    1       -0.334  -0.182  -0.060  0.00  0.00    -0.161 NA
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1        4.534   1.362   0.067  0.00  0.00    +0.062 A 
ATOM     13  C   LIG    1        3.447   1.885  -0.637  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1        2.251   1.170  -0.697  0.00  0.00    +0.133 A 
ATOM     15  F   LIG    1        1.244   1.704  -1.406  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        2.108  -0.071  -0.062  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        3.208  -0.590   0.639  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        4.411   0.121   0.704  0.00  0.00    +0.016 A 
BRANCH  12  20
ATOM     19  O   LIG    1        6.814   1.690   0.758  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1        5.827   2.079   0.163  0.00  0.00    +0.337 C 
BRANCH  20  21
ATOM     21  O   LIG    1        5.821   3.252  -0.493  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        6.722   3.609  -0.348  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  12  20
ENDBRANCH   1  16
BRANCH   8  23
ATOM     23  C   LIG    1       -3.080   0.603  -0.160  0.00  0.00    +0.071 A 
ATOM     24  C   LIG    1       -3.674   1.140   0.998  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -4.112   2.476   0.971  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1       -3.955   3.256  -0.176  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.372   2.708  -1.318  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -2.939   1.381  -1.318  0.00  0.00    +0.054 A 
ATOM     29 CL   LIG    1       -2.293   0.746  -2.789  0.00  0.00    -0.083 Cl
BRANCH  24  30
ATOM     30  C   LIG    1       -3.861   0.311   2.243  0.00  0.00    +0.418 C 
ATOM     31  F   LIG    1       -2.794  -0.487   2.523  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -4.041   1.074   3.360  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -4.948  -0.501   2.177  0.00  0.00    -0.166 F 
ENDBRANCH  24  30
ENDBRANCH   8  23
TORSDOF 5