REMARK  Name = BDB061795
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.147   0.134  -0.134  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.041   0.846   1.046  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.092   1.665   1.197  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.855   0.708   2.100  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.968  -0.127   1.962  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        2.204  -0.814   0.760  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1        1.274  -0.685  -0.284  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  15
ATOM      8  C   LIG    1       -4.082   0.075   0.411  0.00  0.00    +0.093 C 
ATOM      9  N   LIG    1       -4.918   0.453  -0.755  0.00  0.00    -0.288 N 
ATOM     10  C   LIG    1       -5.926   1.416  -0.587  0.00  0.00    +0.320 C 
ATOM     11  O   LIG    1       -6.141   1.911   0.527  0.00  0.00    -0.266 OA
ATOM     12  C   LIG    1       -4.454  -0.034  -2.062  0.00  0.00    +0.127 C 
ATOM     13  C   LIG    1       -2.979   0.329  -2.295  0.00  0.00    +0.127 C 
ATOM     14  N   LIG    1       -2.122   0.048  -1.139  0.00  0.00    -0.294 N 
ATOM     15  C   LIG    1       -0.762   0.297  -1.281  0.00  0.00    +0.249 C 
ATOM     16  O   LIG    1       -0.256   0.633  -2.351  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -2.766  -0.633  -0.007  0.00  0.00    +0.130 C 
BRANCH  10  18
ATOM     18  C   LIG    1       -6.756   1.835  -1.824  0.00  0.00    +0.470 C 
ATOM     19  F   LIG    1       -7.779   2.682  -1.528  0.00  0.00    -0.162 F 
ATOM     20  F   LIG    1       -7.319   0.762  -2.453  0.00  0.00    -0.162 F 
ATOM     21  F   LIG    1       -5.994   2.468  -2.762  0.00  0.00    -0.162 F 
ENDBRANCH  10  18
BRANCH   8  23
ATOM     22  C   LIG    1       -5.449  -2.059   0.914  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -4.860  -0.760   1.450  0.00  0.00    +0.021 C 
ENDBRANCH   8  23
ENDBRANCH   1  15
BRANCH   6  24
ATOM     24  C   LIG    1        3.417  -1.709   0.591  0.00  0.00    +0.162 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.683  -1.062   0.942  0.00  0.00    -0.289 N 
ATOM     26  C   LIG    1        5.311  -0.132   0.056  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1        6.513   0.478   0.435  0.00  0.00    +0.063 A 
ATOM     28  C   LIG    1        7.163   1.402  -0.395  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1        6.612   1.730  -1.629  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.419   1.135  -2.027  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        7.107   0.141   1.737  0.00  0.00    +0.262 A 
ATOM     32  O   LIG    1        8.150   0.652   2.129  0.00  0.00    -0.267 OA
ATOM     33  N   LIG    1        6.426  -0.776   2.486  0.00  0.00    -0.274 N 
ATOM     34  H   LIG    1        6.818  -1.006   3.386  0.00  0.00    +0.173 HD
ATOM     35  C   LIG    1        4.775   0.211  -1.194  0.00  0.00    +0.027 A 
ATOM     36  C   LIG    1        5.242  -1.377   2.172  0.00  0.00    +0.330 A 
ATOM     37  O   LIG    1        4.728  -2.146   2.983  0.00  0.00    -0.246 OA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 5