REMARK  Name = BDB014161
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.369   1.282   1.213  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        2.249   1.843   2.077  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1        3.358   1.143   2.380  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1        3.643  -0.112   1.867  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        2.727  -0.695   0.994  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        1.575   0.024   0.655  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        2.930  -2.006   0.408  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1        3.540  -3.111   0.958  0.00  0.00    +0.166 A 
ATOM      9  N   LIG    1        3.426  -4.065  -0.011  0.00  0.00    -0.253 N 
ATOM     10  H   LIG    1        3.741  -5.031  -0.007  0.00  0.00    +0.191 HD
ATOM     11  N   LIG    1        2.776  -3.602  -1.085  0.00  0.00    -0.067 NA
ATOM     12  N   LIG    1        2.458  -2.339  -0.839  0.00  0.00    -0.129 NA
BRANCH   8  13
ATOM     13  C   LIG    1        4.178  -3.418   2.232  0.00  0.00    +0.436 C 
ATOM     14  F   LIG    1        5.402  -2.845   2.333  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1        4.364  -4.756   2.379  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1        3.450  -3.003   3.293  0.00  0.00    -0.164 F 
ENDBRANCH   8  13
ENDBRANCH   5   7
BRANCH   1  19
ATOM     17  N   LIG    1       -1.542   2.901  -0.155  0.00  0.00    -0.336 N 
ATOM     18  C   LIG    1       -0.477   2.060  -0.324  0.00  0.00    +0.117 A 
ATOM     19  C   LIG    1        0.180   2.061   0.892  0.00  0.00    +0.107 A 
ATOM     20  N   LIG    1       -0.458   2.912   1.772  0.00  0.00    -0.234 NA
ATOM     21  C   LIG    1       -1.485   3.398   1.114  0.00  0.00    +0.200 A 
BRANCH  17  22
ATOM     22  C   LIG    1       -2.539   3.229  -1.155  0.00  0.00    +0.127 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.772   2.322  -1.103  0.00  0.00    +0.062 C 
BRANCH  23  26
ATOM     24  F   LIG    1       -3.153   1.483  -3.741  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -3.172   0.539  -2.789  0.00  0.00    +0.129 A 
ATOM     26  C   LIG    1       -3.483   0.892  -1.475  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1       -3.486  -0.120  -0.514  0.00  0.00    +0.129 A 
ATOM     28  F   LIG    1       -3.779   0.170   0.761  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -3.180  -1.440  -0.845  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -2.867  -1.769  -2.163  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1       -2.865  -0.774  -3.140  0.00  0.00    +0.039 A 
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH   1  19
TORSDOF 6