REMARK  Name = BDB013233
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.914  -0.373  -0.209  0.00  0.00    +0.111 A 
ATOM      2  C   LIG    1        2.164  -1.431  -0.803  0.00  0.00    +0.189 A 
ATOM      3  N   LIG    1        0.811  -1.234  -0.971  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1        0.335  -2.388  -1.521  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.323  -3.231  -1.710  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.147  -0.058  -0.601  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.836   0.902  -0.050  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1        2.473  -2.629  -1.258  0.00  0.00    -0.127 NA
ATOM      9  C   LIG    1        2.192   0.721   0.129  0.00  0.00    +0.144 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        7.684   0.529   1.070  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        6.421  -0.064   0.580  0.00  0.00    +0.056 A 
ATOM     12  N   LIG    1        6.405  -1.316   0.039  0.00  0.00    -0.241 NA
ATOM     13  C   LIG    1        5.151  -1.537  -0.290  0.00  0.00    +0.204 A 
ATOM     14  N   LIG    1        4.309  -0.478   0.007  0.00  0.00    -0.301 N 
ATOM     15  C   LIG    1        5.152   0.470   0.572  0.00  0.00    +0.115 A 
ENDBRANCH   1  14
BRANCH   6  16
ATOM     16  N   LIG    1       -1.210   0.045  -0.823  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -1.607  -0.516  -1.569  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.898   1.316  -0.660  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.380   1.085  -0.706  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -4.088   0.582   0.381  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -3.628   0.249   1.751  0.00  0.00    +0.080 C 
ATOM     22  C   LIG    1       -4.862  -0.501   2.253  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1       -6.010  -0.100   1.470  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1       -5.461   0.380   0.310  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1       -6.189   0.661  -0.829  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -5.498   1.148  -1.938  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1       -4.112   1.350  -1.870  0.00  0.00    +0.129 A 
ATOM     28  F   LIG    1       -3.479   1.808  -2.959  0.00  0.00    -0.205 F 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4