REMARK  Name = BDB061827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.232   1.053   0.797  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -0.195  -0.150   0.076  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        0.925  -0.417  -0.725  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        1.177  -1.508  -1.518  0.00  0.00    -0.236 NA
ATOM      5  C   LIG    1        2.355  -1.281  -2.053  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1        2.878  -0.086  -1.637  0.00  0.00    -0.326 N 
ATOM      7  C   LIG    1        1.973   0.499  -0.782  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        1.966   1.699  -0.063  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        0.841   1.954   0.732  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1       -1.244   2.183   2.602  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -1.389   1.401   1.669  0.00  0.00    +0.244 C 
ATOM     12  N   LIG    1       -2.600   0.831   1.340  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1       -2.704   0.457   0.404  0.00  0.00    +0.149 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -3.801   1.240   2.028  0.00  0.00    +0.140 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.918   0.243   1.818  0.00  0.00    -0.019 A 
ATOM     16  C   LIG    1       -5.669   0.187   0.620  0.00  0.00    +0.059 A 
ATOM     17  C   LIG    1       -6.688  -0.776   0.496  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -6.955  -1.675   1.529  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -6.206  -1.629   2.699  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.194  -0.681   2.842  0.00  0.00    +0.006 A 
BRANCH  16  21
ATOM     21  C   LIG    1       -5.392   1.126  -0.533  0.00  0.00    +0.418 C 
ATOM     22  F   LIG    1       -5.568   2.434  -0.204  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1       -4.111   1.018  -0.988  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1       -6.185   0.909  -1.620  0.00  0.00    -0.166 F 
ENDBRANCH  16  21
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   1  11
BRANCH   6  25
ATOM     25  C   LIG    1        4.148   0.463  -2.080  0.00  0.00    +0.158 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.317  -0.239  -1.437  0.00  0.00    -0.025 A 
ATOM     27  C   LIG    1        6.182  -1.029  -2.208  0.00  0.00    +0.043 A 
ATOM     28  C   LIG    1        7.260  -1.673  -1.606  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1        8.078  -2.423  -2.356  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        7.502  -1.549  -0.244  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1        6.651  -0.766   0.533  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        5.566  -0.114  -0.059  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 6