REMARK  Name = BDB016605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.650  -0.415   1.873  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1       -0.789   0.603   1.571  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        0.410  -0.011   1.271  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.293  -1.379   1.417  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.951  -1.586   1.788  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        1.627   0.670   0.852  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        1.537   2.005   0.622  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        2.661   2.641   0.232  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        3.879   2.010   0.044  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        3.955   0.636   0.266  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        2.809  -0.042   0.689  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.190  -0.100   0.095  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1        6.119   0.023  -0.913  0.00  0.00    +0.166 A 
ATOM     14  N   LIG    1        7.060  -0.916  -0.607  0.00  0.00    -0.253 N 
ATOM     15  H   LIG    1        7.913  -1.163  -1.100  0.00  0.00    +0.191 HD
ATOM     16  N   LIG    1        6.742  -1.586   0.507  0.00  0.00    -0.067 NA
ATOM     17  N   LIG    1        5.587  -1.102   0.944  0.00  0.00    -0.129 NA
BRANCH  13  18
ATOM     18  C   LIG    1        6.242   0.849  -2.106  0.00  0.00    +0.436 C 
ATOM     19  F   LIG    1        5.104   0.880  -2.838  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1        6.558   2.131  -1.800  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1        7.226   0.393  -2.924  0.00  0.00    -0.164 F 
ENDBRANCH  13  18
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  22
ATOM     22  C   LIG    1       -3.043  -0.272   2.260  0.00  0.00    +0.161 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -4.226  -0.372   0.012  0.00  0.00    +0.126 A 
ATOM     24  C   LIG    1       -3.974  -0.932   1.274  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1       -4.599  -2.146   1.608  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -5.468  -2.770   0.712  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -5.732  -2.186  -0.524  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.119  -0.983  -0.872  0.00  0.00    +0.046 A 
BRANCH  23  29
ATOM     29  O   LIG    1       -3.644   0.828  -0.297  0.00  0.00    -0.483 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -2.802   0.765  -1.465  0.00  0.00    +0.342 C 
BRANCH  30  32
ATOM     31  F   LIG    1       -4.493   1.414  -3.008  0.00  0.00    -0.167 F 
ATOM     32  C   LIG    1       -3.264   1.732  -2.542  0.00  0.00    +0.424 C 
ATOM     33  F   LIG    1       -3.307   3.006  -2.095  0.00  0.00    -0.167 F 
ATOM     34  F   LIG    1       -2.418   1.704  -3.600  0.00  0.00    -0.167 F 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  23  29
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 8