REMARK  Name = BDB050446
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.424  -0.860  -0.992  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1       -0.078  -0.973  -0.588  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        0.780  -1.967  -1.059  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1        2.055  -1.773  -0.435  0.00  0.00    -0.022 A 
ATOM      5  C   LIG    1        1.940  -0.667   0.392  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        3.262  -2.619  -0.648  0.00  0.00    +0.046 C 
ATOM      7  C   LIG    1        0.282  -2.904  -1.984  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -1.045  -2.802  -2.399  0.00  0.00    +0.125 A 
ATOM      9  F   LIG    1       -1.520  -3.690  -3.283  0.00  0.00    -0.205 F 
ATOM     10  N   LIG    1        0.653  -0.202   0.289  0.00  0.00    -0.357 N 
ATOM     11  H   LIG    1        0.277   0.591   0.792  0.00  0.00    +0.166 HD
ATOM     12  C   LIG    1       -1.885  -1.806  -1.921  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -3.111   0.018   0.654  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1       -2.285   0.207  -0.471  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -2.314   1.478  -1.085  0.00  0.00    -0.038 A 
ATOM     16  C   LIG    1       -1.489   1.791  -2.305  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -3.135   2.476  -0.548  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -3.898   2.200   0.572  0.00  0.00    +0.117 A 
ATOM     19  N   LIG    1       -3.898   1.003   1.170  0.00  0.00    -0.237 NA
BRANCH  18  20
ATOM     20  N   LIG    1       -4.739   3.166   1.115  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1       -5.162   2.752   1.943  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1       -4.238   4.018   1.334  0.00  0.00    +0.144 HD
ENDBRANCH  18  20
BRANCH  13  24
ATOM     23  C   LIG    1       -2.270  -1.292   2.626  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1       -3.181  -1.290   1.408  0.00  0.00    +0.053 C 
ENDBRANCH  13  24
ENDBRANCH   1  14
BRANCH   5  25
ATOM     25  C   LIG    1        2.933   0.006   1.285  0.00  0.00    +0.081 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.820   0.986   0.518  0.00  0.00    +0.165 C 
BRANCH  26  27
ATOM     27  O   LIG    1        4.695   1.633   1.444  0.00  0.00    -0.383 OA
ATOM     28  C   LIG    1        5.567   2.545   0.789  0.00  0.00    +0.194 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 6