REMARK  Name = BDB016111
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.149  -1.772  -0.379  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.278  -0.655   0.240  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.552  -0.600   0.671  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.418  -1.683   0.516  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.882  -2.780  -0.134  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1       -0.619  -2.851  -0.599  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.763  -0.715  -1.010  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.435  -0.738  -0.551  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.544  -1.788  -0.864  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.039  -2.837  -1.656  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        3.356  -2.836  -2.120  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.211  -1.780  -1.800  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        5.529   3.686   0.494  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.423   2.337  -0.006  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.537   1.667  -0.345  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.074   0.479  -0.744  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.662   0.381  -0.672  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.278   1.618  -0.191  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.783  -1.700   1.003  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.864  -2.216   0.317  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.952  -2.025   1.120  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -7.319  -2.394   0.838  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.658  -1.421   2.284  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.338  -1.231   2.216  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.977   0.577   1.310  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -2.890   0.864   0.955  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.008   1.676   1.414  0.00  0.00    +0.143 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -0.715   2.404   0.093  0.00  0.00    +0.235 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.918   3.247  -0.325  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1       -2.240   4.173   0.603  0.00  0.00    -0.168 F 
ATOM     31  F   LIG    1       -3.013   2.486  -0.547  0.00  0.00    -0.168 F 
ATOM     32  F   LIG    1       -1.642   3.907  -1.477  0.00  0.00    -0.168 F 
ENDBRANCH  28  29
BRANCH  28  33
ATOM     33  O   LIG    1        0.482   3.206   0.249  0.00  0.00    -0.381 OA
ATOM     34  H   LIG    1        0.580   3.727  -0.571  0.00  0.00    +0.210 HD
ENDBRANCH  28  33
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 8