REMARK  Name = BDB056735
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.362   0.891  -0.001  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        0.008   0.042  -1.111  0.00  0.00    -0.313 N 
ATOM      3  C   LIG    1        0.881  -0.749  -1.805  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1        0.104  -1.376  -2.769  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        0.738  -2.262  -3.645  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        2.113  -2.446  -3.480  0.00  0.00    +0.070 A 
ATOM      7  C   LIG    1        2.780  -1.749  -2.473  0.00  0.00    +0.222 A 
ATOM      8  N   LIG    1       -1.206  -0.984  -2.671  0.00  0.00    -0.227 NA
ATOM      9  N   LIG    1        2.205  -0.887  -1.596  0.00  0.00    -0.193 NA
ATOM     10  C   LIG    1       -1.249  -0.136  -1.655  0.00  0.00    +0.149 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        4.148  -2.014  -2.381  0.00  0.00    -0.438 OA
BRANCH  11  12
ATOM     12  C   LIG    1        4.880  -1.189  -1.561  0.00  0.00    +0.133 A 
ATOM     13  C   LIG    1        5.105   0.146  -1.898  0.00  0.00    +0.086 A 
ATOM     14  C   LIG    1        5.883   0.934  -1.058  0.00  0.00    +0.145 A 
ATOM     15  F   LIG    1        6.082   2.220  -1.383  0.00  0.00    -0.204 F 
ATOM     16  C   LIG    1        6.452   0.398   0.099  0.00  0.00    +0.076 A 
ATOM     17 CL   LIG    1        7.415   1.375   1.138  0.00  0.00    -0.081 Cl
ATOM     18  C   LIG    1        6.245  -0.946   0.418  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1        5.462  -1.744  -0.419  0.00  0.00    +0.048 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  20
ATOM     20  C   LIG    1       -2.476   0.563  -1.162  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.623   0.228   0.218  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.690   0.769   0.880  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -3.769   0.416   2.230  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -4.817   0.900   3.023  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -5.770   1.762   2.477  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -5.692   2.112   1.130  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.658   1.613   0.331  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -4.923   0.544   4.454  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -5.248   1.342   5.315  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -4.667  -0.759   4.696  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -4.583  -1.315   3.898  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 7