REMARK  Name = BDB029660
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.139   0.495   1.221  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.413   0.413  -0.156  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        1.415   1.552  -0.469  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.509   1.595   0.524  0.00  0.00    -0.327 N 
ATOM      5  C   LIG    1        1.972   1.705   1.902  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.981   0.551   2.193  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.679   0.859   0.345  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1        4.787   1.071   1.178  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1        5.980   0.359   1.019  0.00  0.00    +0.134 A 
ATOM     10  F   LIG    1        6.987   0.631   1.865  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        6.138  -0.589   0.006  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        5.051  -0.798  -0.847  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        3.853  -0.081  -0.681  0.00  0.00    +0.024 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.385  -1.335  -0.157  0.00  0.00    +0.069 A 
ATOM     15  N   LIG    1        7.850  -1.835  -1.353  0.00  0.00    -0.344 N 
ATOM     16  H   LIG    1        7.407  -1.734  -2.254  0.00  0.00    +0.167 HD
ATOM     17  C   LIG    1        9.039  -2.465  -1.125  0.00  0.00    +0.196 A 
ATOM     18  N   LIG    1        9.380  -2.401   0.139  0.00  0.00    -0.244 NA
ATOM     19  C   LIG    1        8.373  -1.694   0.745  0.00  0.00    +0.138 A 
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1       -1.014  -0.648   1.524  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1       -6.747   0.324  -1.416  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1       -6.387   1.573  -0.665  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1       -7.110   2.563  -0.670  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1       -5.206   1.562   0.031  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1       -4.978   2.410   0.533  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -4.339   0.464   0.055  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1       -4.662  -0.691  -0.653  0.00  0.00    +0.088 A 
ATOM     28  N   LIG    1       -3.884  -1.794  -0.687  0.00  0.00    -0.253 NA
ATOM     29  C   LIG    1       -2.730  -1.733   0.020  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1       -2.311  -0.623   0.754  0.00  0.00    -0.013 A 
ATOM     31  C   LIG    1       -3.151   0.499   0.771  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1       -5.910  -0.730  -1.406  0.00  0.00    +0.038 A 
BRANCH  21  34
ATOM     33  C   LIG    1       -9.249   0.128  -1.291  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -8.037   0.333  -2.189  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 5