REMARK  Name = BDB061786
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.622   0.016   1.076  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.409   0.618   2.311  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.566   0.196   3.127  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.204   1.684   2.715  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.234   2.139   1.886  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.489   1.516   0.650  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -1.663   0.454   0.248  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  12
ATOM      8  N   LIG    1        4.395  -0.697  -0.454  0.00  0.00    -0.296 NA
ATOM      9  C   LIG    1        3.656   0.469   0.098  0.00  0.00    +0.074 C 
ATOM     10  C   LIG    1        2.105   0.378   0.031  0.00  0.00    +0.127 C 
ATOM     11  N   LIG    1        1.547  -0.935   0.359  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        0.194  -1.129   0.645  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1       -0.383  -2.208   0.522  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        2.256  -2.068  -0.229  0.00  0.00    +0.123 C 
ATOM     15  C   LIG    1        3.774  -1.975  -0.035  0.00  0.00    +0.103 C 
BRANCH   9  16
ATOM     16  C   LIG    1        4.170   0.894   1.497  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1        3.975  -0.068   2.656  0.00  0.00    +0.005 C 
ENDBRANCH   9  16
BRANCH   8  18
ATOM     18  C   LIG    1        4.501  -0.645  -1.926  0.00  0.00    +0.084 C 
BRANCH  18  20
ATOM     19  C   LIG    1        6.923   0.162  -1.893  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        5.520   0.384  -2.439  0.00  0.00    +0.012 C 
ENDBRANCH  18  20
ENDBRANCH   8  18
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  C   LIG    1       -3.602   2.037  -0.240  0.00  0.00    +0.162 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.372   0.993  -0.917  0.00  0.00    -0.289 N 
ATOM     23  C   LIG    1       -5.354   0.227  -0.216  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1       -6.076  -0.759  -0.899  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1       -7.049  -1.536  -0.254  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -7.313  -1.333   1.096  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.606  -0.359   1.795  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -5.808  -0.983  -2.327  0.00  0.00    +0.262 A 
ATOM     29  O   LIG    1       -6.422  -1.817  -2.982  0.00  0.00    -0.267 OA
ATOM     30  N   LIG    1       -4.836  -0.199  -2.883  0.00  0.00    -0.274 N 
ATOM     31  H   LIG    1       -4.637  -0.350  -3.860  0.00  0.00    +0.173 HD
ATOM     32  C   LIG    1       -5.636   0.415   1.145  0.00  0.00    +0.027 A 
ATOM     33  C   LIG    1       -4.105   0.770  -2.260  0.00  0.00    +0.330 A 
ATOM     34  O   LIG    1       -3.255   1.387  -2.902  0.00  0.00    -0.246 OA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 6