REMARK  Name = BDB034168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.216  -0.366   1.796  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1        0.191  -1.029   0.546  0.00  0.00    +0.089 C 
ATOM      3  C   LIG    1        1.460  -0.370  -0.022  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1        2.542  -0.204   1.021  0.00  0.00    -0.039 C 
ATOM      5  C   LIG    1        2.220  -0.286   2.326  0.00  0.00    -0.007 C 
ATOM      6  C   LIG    1        0.822  -0.538   2.823  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.930   0.046   0.571  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1        4.223   0.891  -0.510  0.00  0.00    +0.166 A 
ATOM      9  F   LIG    1        3.238   1.532  -1.159  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1        5.535   1.106  -0.935  0.00  0.00    +0.171 A 
ATOM     11  F   LIG    1        5.741   1.929  -1.976  0.00  0.00    -0.202 F 
ATOM     12  C   LIG    1        6.601   0.476  -0.298  0.00  0.00    +0.075 A 
ATOM     13  C   LIG    1        6.326  -0.382   0.776  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        5.008  -0.595   1.202  0.00  0.00    +0.012 A 
BRANCH  12  15
ATOM     15  C   LIG    1        8.021   0.664  -0.706  0.00  0.00    +0.247 C 
ATOM     16  N   LIG    1        8.283   1.563  -1.716  0.00  0.00    -0.314 N 
ATOM     17  H   LIG    1        7.514   1.997  -2.215  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        9.617   1.749  -2.228  0.00  0.00    +0.128 C 
ATOM     19  O   LIG    1        8.902   0.022  -0.142  0.00  0.00    -0.270 OA
ENDBRANCH  12  15
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1       -1.508  -0.857   2.294  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1       -6.822   0.110  -1.350  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1       -6.666  -1.365  -1.129  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1       -7.455  -2.180  -1.597  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1       -5.596  -1.775  -0.374  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1       -5.509  -2.772  -0.235  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -4.660  -0.889   0.171  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1       -4.794   0.481  -0.043  0.00  0.00    +0.088 A 
ATOM     28  N   LIG    1       -3.939   1.404   0.445  0.00  0.00    -0.253 NA
ATOM     29  C   LIG    1       -2.901   0.929   1.175  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1       -2.677  -0.422   1.446  0.00  0.00    -0.013 A 
ATOM     31  C   LIG    1       -3.589  -1.349   0.928  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1       -5.918   0.964  -0.837  0.00  0.00    +0.038 A 
BRANCH  21  34
ATOM     33  C   LIG    1       -9.295   0.555  -1.406  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -7.988   0.562  -2.186  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 5