REMARK  Name = BDB042826
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.151   0.801   0.643  0.00  0.00    +0.088 C 
ATOM      2  C   LIG    1       -1.180   1.307  -0.395  0.00  0.00    +0.091 C 
ATOM      3  C   LIG    1       -2.062   0.193  -0.955  0.00  0.00    +0.055 C 
ATOM      4  N   LIG    1       -2.562   0.347  -2.130  0.00  0.00    -0.279 NA
ATOM      5  C   LIG    1       -3.435  -0.653  -2.746  0.00  0.00    +0.221 C 
ATOM      6  C   LIG    1       -3.891  -1.771  -1.841  0.00  0.00    +0.185 C 
ATOM      7  C   LIG    1       -3.235  -1.931  -0.535  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1       -3.535  -3.029   0.273  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -2.900  -3.152   1.499  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -3.188  -4.193   2.291  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -1.966  -2.211   1.923  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1       -1.633  -1.123   1.108  0.00  0.00    +0.040 A 
ATOM     13  O   LIG    1       -4.759  -2.574  -2.179  0.00  0.00    -0.290 OA
ATOM     14  C   LIG    1       -2.312  -0.981  -0.111  0.00  0.00    +0.028 A 
ATOM     15  N   LIG    1       -0.733  -0.172   1.575  0.00  0.00    -0.339 N 
ATOM     16  H   LIG    1       -0.128  -0.473   2.335  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   2  17
ATOM     17  C   LIG    1       -2.019   2.470   0.131  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1       -1.839   3.752  -0.411  0.00  0.00    +0.130 A 
ATOM     19  F   LIG    1       -0.920   3.951  -1.367  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -2.577   4.844   0.030  0.00  0.00    +0.077 A 
ATOM     21  C   LIG    1       -3.513   4.659   1.035  0.00  0.00    +0.126 A 
ATOM     22  F   LIG    1       -4.229   5.702   1.472  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -3.713   3.406   1.603  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -2.967   2.313   1.155  0.00  0.00    +0.010 A 
ENDBRANCH   2  17
BRANCH   1  27
ATOM     25  N   LIG    1        3.257  -0.646   0.057  0.00  0.00    -0.300 NA
ATOM     26  C   LIG    1        2.265  -0.068   0.966  0.00  0.00    +0.090 C 
ATOM     27  C   LIG    1        1.160   0.314  -0.012  0.00  0.00    +0.025 C 
ATOM     28  C   LIG    1        1.111  -0.894  -0.948  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1        2.511  -1.508  -0.867  0.00  0.00    +0.085 C 
BRANCH  25  30
ATOM     30  C   LIG    1        4.340  -1.337   0.774  0.00  0.00    +0.112 C 
BRANCH  30  31
ATOM     31  C   LIG    1        5.499  -1.815  -0.124  0.00  0.00    +0.174 C 
BRANCH  31  33
ATOM     32  C   LIG    1        5.990   0.215  -1.273  0.00  0.00    +0.194 C 
ATOM     33  O   LIG    1        6.469  -0.802  -0.403  0.00  0.00    -0.382 OA
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH   1  27
TORSDOF 5