REMARK  Name = BDB056733
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.117  -1.060  -0.394  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        0.220   0.291  -0.887  0.00  0.00    -0.313 N 
ATOM      3  C   LIG    1        1.387   0.909  -1.243  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1        1.006   2.179  -1.652  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        2.007   3.054  -2.086  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        3.321   2.576  -2.069  0.00  0.00    +0.070 A 
ATOM      7  C   LIG    1        3.571   1.278  -1.624  0.00  0.00    +0.222 A 
ATOM      8  N   LIG    1       -0.351   2.339  -1.548  0.00  0.00    -0.227 NA
ATOM      9  N   LIG    1        2.631   0.393  -1.206  0.00  0.00    -0.193 NA
ATOM     10  C   LIG    1       -0.810   1.192  -1.071  0.00  0.00    +0.149 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        4.912   0.891  -1.666  0.00  0.00    -0.438 OA
BRANCH  11  12
ATOM     12  C   LIG    1        5.242  -0.264  -1.000  0.00  0.00    +0.131 A 
ATOM     13  C   LIG    1        5.701  -1.348  -1.750  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        6.091  -2.519  -1.101  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1        6.033  -2.585   0.289  0.00  0.00    +0.124 A 
ATOM     16  F   LIG    1        6.408  -3.710   0.911  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        5.597  -1.499   1.043  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1        5.207  -0.326   0.397  0.00  0.00    +0.049 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  19
ATOM     19  C   LIG    1       -2.246   0.886  -0.790  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.332   0.477   0.575  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -3.563   0.110   1.042  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -4.769   0.214   0.350  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1       -5.958  -0.206   0.967  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1       -5.943  -0.754   2.252  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -4.739  -0.849   2.943  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -3.558  -0.412   2.341  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -7.250  -0.110   0.257  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1       -8.063  -1.016   0.224  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -7.439   1.098  -0.314  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -6.792   1.779  -0.049  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  10  19
TORSDOF 7