REMARK  Name = BDB014177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.742  -0.544  -1.817  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        0.324   0.271  -1.560  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.305  -0.558  -1.055  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.857  -1.864  -1.032  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.364  -1.822  -1.514  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.629  -0.136  -0.617  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        2.913   1.190  -0.695  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.137   1.584  -0.291  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.103   0.722   0.200  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        4.797  -0.636   0.287  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        3.540  -1.071  -0.141  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.750  -1.605   0.786  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1        6.591  -1.488   1.869  0.00  0.00    +0.166 A 
ATOM     14  N   LIG    1        7.243  -2.685   1.907  0.00  0.00    -0.253 N 
ATOM     15  H   LIG    1        7.946  -3.019   2.559  0.00  0.00    +0.191 HD
ATOM     16  N   LIG    1        6.838  -3.498   0.923  0.00  0.00    -0.067 NA
ATOM     17  N   LIG    1        5.909  -2.850   0.233  0.00  0.00    -0.129 NA
BRANCH  13  18
ATOM     18  C   LIG    1        6.850  -0.459   2.866  0.00  0.00    +0.436 C 
ATOM     19  F   LIG    1        5.715   0.043   3.406  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1        7.543   0.583   2.346  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1        7.595  -0.944   3.894  0.00  0.00    -0.164 F 
ENDBRANCH  13  18
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  22
ATOM     22  C   LIG    1       -2.006  -0.152  -2.414  0.00  0.00    +0.131 C 
BRANCH  22  27
ATOM     23  C   LIG    1       -3.910  -2.140   2.198  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -4.095  -0.845   1.462  0.00  0.00    -0.050 A 
ATOM     25  C   LIG    1       -3.382  -0.598   0.278  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -3.512   0.617  -0.406  0.00  0.00    -0.039 A 
ATOM     27  C   LIG    1       -2.761   0.980  -1.682  0.00  0.00    +0.039 C 
ATOM     28  C   LIG    1       -3.766   1.611  -2.674  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -4.633   2.732  -2.083  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -4.478   2.927  -0.577  0.00  0.00    +0.035 C 
ATOM     31  C   LIG    1       -4.368   1.603   0.131  0.00  0.00    -0.044 A 
ATOM     32  C   LIG    1       -5.059   1.370   1.325  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -4.923   0.152   1.985  0.00  0.00    +0.003 A 
ENDBRANCH  22  27
ENDBRANCH   1  22
TORSDOF 5