REMARK  Name = BDB047079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.814   0.482  -0.069  0.00  0.00    -0.262 N 
ATOM      2  C   LIG    1        1.883  -0.267  -1.217  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1        0.559  -0.603  -1.501  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        0.283  -1.387  -2.640  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        1.348  -1.798  -3.440  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1        2.661  -1.457  -3.143  0.00  0.00    +0.040 A 
ATOM      7  F   LIG    1        1.098  -2.544  -4.524  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -0.214  -0.004  -0.460  0.00  0.00    +0.153 A 
ATOM      9  C   LIG    1        2.958  -0.681  -2.019  0.00  0.00    +0.031 A 
ATOM     10  N   LIG    1        0.564   0.661   0.394  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1       -1.565  -0.116  -0.416  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1       -2.005  -0.670  -1.157  0.00  0.00    +0.154 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -2.506   0.282   0.562  0.00  0.00    +0.063 A 
ATOM     14  C   LIG    1       -3.895   0.242   0.305  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1       -4.817   0.650   1.282  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1       -4.331   1.122   2.484  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1       -3.021   1.217   2.762  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1       -2.148   0.802   1.805  0.00  0.00    +0.134 A 
BRANCH  14  19
ATOM     19  C   LIG    1       -4.386  -0.235  -1.020  0.00  0.00    +0.258 C 
ATOM     20  N   LIG    1       -5.640   0.284  -1.430  0.00  0.00    -0.219 N 
ATOM     21  H   LIG    1       -5.994   1.147  -1.020  0.00  0.00    +0.167 HD
ATOM     22  O   LIG    1       -3.717  -1.017  -1.683  0.00  0.00    -0.269 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -5.986  -0.080  -2.665  0.00  0.00    +0.173 C 
ATOM     24  N   LIG    1       -6.343  -0.345  -3.733  0.00  0.00    -0.174 NA
ENDBRANCH  20  23
ENDBRANCH  14  19
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  25
ATOM     25  C   LIG    1        2.916   1.097   0.651  0.00  0.00    +0.147 C 
BRANCH  25  27
ATOM     26  C   LIG    1        3.842  -1.026   1.702  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1        3.277   0.373   1.958  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1        4.290   1.204   2.748  0.00  0.00    +0.009 C 
ENDBRANCH  25  27
ENDBRANCH   1  25
TORSDOF 6