REMARK  Name = BDB029630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.248  -0.978   1.364  0.00  0.00    -0.298 NA
ATOM      2  C   LIG    1        0.360  -0.240   0.246  0.00  0.00    +0.085 C 
ATOM      3  C   LIG    1        1.457  -1.057  -0.439  0.00  0.00    +0.023 C 
ATOM      4  C   LIG    1        2.589  -1.444   0.531  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1        2.176  -1.245   1.998  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1        0.727  -1.676   2.216  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.896  -0.734   0.235  0.00  0.00    -0.023 A 
ATOM      8  C   LIG    1        4.003   0.661   0.201  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        5.233   1.257  -0.063  0.00  0.00    +0.154 A 
ATOM     10  F   LIG    1        5.296   2.595  -0.106  0.00  0.00    -0.203 F 
ATOM     11  C   LIG    1        6.337   0.448  -0.292  0.00  0.00    +0.160 A 
ATOM     12  N   LIG    1        6.268  -0.914  -0.266  0.00  0.00    -0.247 NA
ATOM     13  C   LIG    1        5.059  -1.464  -0.004  0.00  0.00    +0.115 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.674   1.075  -0.532  0.00  0.00    +0.265 C 
ATOM     15  N   LIG    1        8.652   0.419  -1.248  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        9.523   0.932  -1.298  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        8.567  -0.854  -1.923  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        7.933   2.193  -0.088  0.00  0.00    -0.268 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.153  -0.130   2.158  0.00  0.00    +0.121 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -6.570   0.978  -1.288  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -6.311  -0.501  -1.281  0.00  0.00    +0.252 A 
ATOM     22  O   LIG    1       -7.048  -1.290  -1.862  0.00  0.00    -0.268 OA
ATOM     23  N   LIG    1       -5.208  -0.938  -0.594  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1       -5.047  -1.935  -0.598  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.329  -0.076   0.071  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1       -4.556   1.298   0.055  0.00  0.00    +0.088 A 
ATOM     27  N   LIG    1       -3.759   2.199   0.668  0.00  0.00    -0.253 NA
ATOM     28  C   LIG    1       -2.684   1.698   1.322  0.00  0.00    +0.116 A 
ATOM     29  C   LIG    1       -2.364   0.343   1.392  0.00  0.00    -0.013 A 
ATOM     30  C   LIG    1       -3.221  -0.562   0.751  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1       -5.720   1.810  -0.659  0.00  0.00    +0.038 A 
BRANCH  20  33
ATOM     32  C   LIG    1       -9.068   1.253  -1.274  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -7.774   1.463  -2.048  0.00  0.00    +0.037 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5