REMARK  Name = BDB062243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.148  -0.065   0.074  0.00  0.00    +0.071 A 
ATOM      2  N   LIG    1       -1.353   1.035  -0.225  0.00  0.00    -0.278 N 
ATOM      3  C   LIG    1        0.006   0.969  -0.115  0.00  0.00    +0.201 A 
ATOM      4  N   LIG    1        0.557   2.120  -0.429  0.00  0.00    -0.126 NA
ATOM      5  N   LIG    1       -0.474   2.972  -0.777  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.642  -0.258   0.310  0.00  0.00    +0.164 A 
ATOM      7  N   LIG    1       -0.117  -1.296   0.589  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1       -1.605   2.306  -0.658  0.00  0.00    +0.230 A 
ATOM      9  C   LIG    1       -1.494  -1.182   0.463  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -7.863  -0.077  -0.125  0.00  0.00    +0.105 C 
ATOM     11  N   LIG    1       -6.431  -0.257   0.100  0.00  0.00    -0.301 NA
ATOM     12  C   LIG    1       -5.828   0.955   0.669  0.00  0.00    +0.089 C 
ATOM     13  C   LIG    1       -4.358   0.706   1.050  0.00  0.00    +0.052 C 
ATOM     14  C   LIG    1       -3.597  -0.027  -0.031  0.00  0.00    -0.023 C 
ATOM     15  C   LIG    1       -4.256  -0.630  -1.037  0.00  0.00    -0.006 C 
ATOM     16  C   LIG    1       -5.756  -0.641  -1.148  0.00  0.00    +0.111 C 
ENDBRANCH   1  14
BRANCH   6  17
ATOM     17  N   LIG    1        2.013  -0.349   0.421  0.00  0.00    -0.323 N 
ATOM     18  H   LIG    1        2.491   0.553   0.420  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.657  -1.362   1.244  0.00  0.00    +0.147 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.179  -1.333   1.072  0.00  0.00    +0.195 C 
ATOM     21  O   LIG    1        4.688  -0.016   1.432  0.00  0.00    -0.487 OA
ATOM     22  C   LIG    1        5.738   0.176   0.575  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1        5.797  -0.752  -0.455  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        6.791  -0.684  -1.414  0.00  0.00    +0.045 A 
ATOM     25  C   LIG    1        7.730   0.340  -1.302  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        7.670   1.280  -0.265  0.00  0.00    +0.042 A 
ATOM     27  F   LIG    1        8.709   0.433  -2.212  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        6.654   1.203   0.690  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        4.646  -1.679  -0.353  0.00  0.00    +0.085 C 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4