REMARK  Name = BDB029618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.210  -1.250   1.704  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.394  -1.181   0.347  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        1.726  -1.950   0.215  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.739  -1.383   1.129  0.00  0.00    -0.327 N 
ATOM      5  C   LIG    1        2.223  -1.028   2.475  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.806  -1.598   2.724  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.766  -0.562   0.657  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1        3.757   0.035  -0.611  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1        4.810   0.848  -1.041  0.00  0.00    +0.137 A 
ATOM     10  F   LIG    1        4.716   1.421  -2.250  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        5.913   1.072  -0.228  0.00  0.00    +0.072 A 
ATOM     12  C   LIG    1        5.945   0.507   1.046  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1        4.887  -0.305   1.471  0.00  0.00    +0.024 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.022   1.948  -0.641  0.00  0.00    +0.247 C 
ATOM     15  N   LIG    1        7.697   1.712  -1.810  0.00  0.00    -0.314 N 
ATOM     16  H   LIG    1        8.413   2.402  -2.006  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.553   0.602  -2.723  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        7.363   2.868   0.098  0.00  0.00    -0.270 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -0.910  -0.001   2.045  0.00  0.00    +0.121 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -6.435   0.262  -1.400  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -6.370  -1.073  -0.717  0.00  0.00    +0.252 A 
ATOM     22  O   LIG    1       -7.254  -1.913  -0.851  0.00  0.00    -0.268 OA
ATOM     23  N   LIG    1       -5.274  -1.319   0.069  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1       -5.245  -2.221   0.524  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.233  -0.400   0.241  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1       -4.281   0.834  -0.403  0.00  0.00    +0.088 A 
ATOM     27  N   LIG    1       -3.320   1.776  -0.294  0.00  0.00    -0.253 NA
ATOM     28  C   LIG    1       -2.264   1.465   0.493  0.00  0.00    +0.116 A 
ATOM     29  C   LIG    1       -2.117   0.257   1.175  0.00  0.00    -0.013 A 
ATOM     30  C   LIG    1       -3.139  -0.693   1.044  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1       -5.430   1.143  -1.246  0.00  0.00    +0.038 A 
BRANCH  20  33
ATOM     32  C   LIG    1       -8.864   0.903  -1.458  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -7.631   0.533  -2.270  0.00  0.00    +0.037 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5