REMARK  Name = BDB012723
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.580  -0.919   1.019  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1        1.099  -1.964   0.193  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        0.504  -1.778  -1.055  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        0.766  -2.611  -2.154  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        1.663  -3.665  -1.959  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        2.264  -3.865  -0.722  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1        3.119  -4.885  -0.570  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1       -0.299  -0.677  -0.896  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1        2.001  -3.033   0.365  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1       -0.266  -0.146   0.337  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        0.956  -0.777   2.313  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1        1.613  -1.471   2.680  0.00  0.00    +0.154 HD
BRANCH  11  14
ATOM     13  C   LIG    1        1.182   0.200   4.568  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1        0.508   0.100   3.330  0.00  0.00    +0.063 A 
ATOM     15  C   LIG    1       -0.576   0.964   3.174  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1       -1.030   1.831   4.117  0.00  0.00    -0.261 NA
ATOM     17  C   LIG    1       -0.374   1.864   5.289  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        0.724   1.075   5.563  0.00  0.00    +0.034 A 
BRANCH  13  21
ATOM     19  N   LIG    1        3.315  -0.273   5.829  0.00  0.00    -0.219 N 
ATOM     20  H   LIG    1        3.991  -1.027   5.987  0.00  0.00    +0.167 HD
ATOM     21  C   LIG    1        2.383  -0.653   4.824  0.00  0.00    +0.258 C 
ATOM     22  O   LIG    1        2.546  -1.713   4.235  0.00  0.00    -0.269 OA
BRANCH  19  24
ATOM     23  N   LIG    1        4.277   1.988   5.402  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1        3.829   0.939   5.593  0.00  0.00    +0.173 C 
ENDBRANCH  19  24
ENDBRANCH  13  21
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   8  25
ATOM     25  C   LIG    1       -1.148  -0.060  -1.902  0.00  0.00    +0.159 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -0.380   0.997  -2.708  0.00  0.00    +0.108 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -1.120   1.726  -3.747  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1       -2.148   2.654  -3.219  0.00  0.00    +0.160 C 
ATOM     29  C   LIG    1       -3.407   2.417  -4.046  0.00  0.00    +0.262 C 
ATOM     30  F   LIG    1       -4.534   2.571  -3.324  0.00  0.00    -0.204 F 
ATOM     31  F   LIG    1       -3.468   3.268  -5.096  0.00  0.00    -0.204 F 
ATOM     32  C   LIG    1       -3.259   0.997  -4.531  0.00  0.00    +0.092 C 
ATOM     33  C   LIG    1       -1.763   0.893  -4.770  0.00  0.00    +0.090 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   8  25
TORSDOF 7