REMARK  Name = BDB060805
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.588  -0.238  -0.226  0.00  0.00    +0.106 C 
ATOM      2  C   LIG    1        0.776   1.213   0.283  0.00  0.00    +0.135 C 
ATOM      3  C   LIG    1       -0.444   2.071   0.531  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -0.412   3.186  -0.308  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.404   4.144  -0.314  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -2.470   3.970   0.570  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -2.513   2.861   1.433  0.00  0.00    +0.000 A 
ATOM      8  N   LIG    1        0.730   3.171  -1.090  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1        0.992   3.867  -1.772  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -1.494   1.904   1.423  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        1.514   2.056  -0.826  0.00  0.00    +0.243 C 
ATOM     12  O   LIG    1        2.581   1.799  -1.362  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1        1.654   1.162   1.484  0.00  0.00    -0.288 NA
ATOM     14  H   LIG    1        1.075   1.141   2.327  0.00  0.00    +0.124 HD
ATOM     15  C   LIG    1        2.395  -0.138   1.378  0.00  0.00    +0.171 C 
ATOM     16  C   LIG    1        1.320  -1.088   0.836  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1       -4.217  -1.386  -1.707  0.00  0.00    +0.071 C 
ATOM     18  C   LIG    1       -2.910  -1.192  -1.032  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -1.730  -0.566  -1.507  0.00  0.00    +0.191 A 
ATOM     20  C   LIG    1       -0.832  -0.665  -0.462  0.00  0.00    +0.174 A 
ATOM     21  O   LIG    1       -1.452  -1.308   0.570  0.00  0.00    -0.357 OA
ATOM     22  N   LIG    1       -2.741  -1.637   0.220  0.00  0.00    -0.081 NA
BRANCH  19  23
ATOM     23  N   LIG    1       -1.509   0.048  -2.776  0.00  0.00    +0.062 N 
ATOM     24  O   LIG    1       -0.449   0.663  -2.929  0.00  0.00    -0.126 OA
ATOM     25  O   LIG    1       -2.399  -0.074  -3.625  0.00  0.00    -0.126 OA
ENDBRANCH  19  23
ENDBRANCH   1  20
BRANCH  16  26
ATOM     26  C   LIG    1        1.855  -2.353   0.263  0.00  0.00    +0.110 A 
ATOM     27  O   LIG    1        2.908  -2.245  -0.593  0.00  0.00    -0.467 OA
ATOM     28  C   LIG    1        3.226  -3.502  -0.993  0.00  0.00    +0.195 A 
ATOM     29  C   LIG    1        2.385  -4.419  -0.408  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1        1.495  -3.677   0.405  0.00  0.00    +0.045 A 
ENDBRANCH  16  26
BRANCH  15  31
ATOM     31  C   LIG    1        2.999  -0.661   2.697  0.00  0.00    +0.406 C 
ATOM     32  F   LIG    1        2.030  -0.799   3.636  0.00  0.00    -0.169 F 
ATOM     33  F   LIG    1        3.599  -1.860   2.553  0.00  0.00    -0.169 F 
ATOM     34  F   LIG    1        3.919   0.196   3.193  0.00  0.00    -0.169 F 
ENDBRANCH  15  31
TORSDOF 4