REMARK  Name = BDB014905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.381   0.797  -0.799  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1        0.340   1.683  -1.297  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -5.631   4.165  -1.219  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -4.173   3.804  -1.337  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -3.805   2.507  -1.001  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.385   2.167  -1.220  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.024   0.919  -0.498  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -0.769   0.285  -0.303  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -0.921  -0.838   0.407  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -2.235  -0.918   0.685  0.00  0.00    -0.261 N 
ATOM     11  C   LIG    1       -2.941   0.106   0.133  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.398   0.368   0.195  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -4.766   1.386  -0.905  0.00  0.00    +0.114 C 
ATOM     14  O   LIG    1       -3.356   4.647  -1.710  0.00  0.00    -0.276 OA
BRANCH  10  15
ATOM     15  C   LIG    1       -2.734  -2.010   1.483  0.00  0.00    +0.135 C 
ATOM     16  C   LIG    1       -2.563  -3.376   0.844  0.00  0.00    +0.186 C 
ATOM     17  O   LIG    1       -2.638  -4.333   1.917  0.00  0.00    -0.378 OA
ATOM     18  C   LIG    1       -2.441  -3.635   3.156  0.00  0.00    +0.162 C 
ATOM     19  C   LIG    1       -2.045  -2.212   2.818  0.00  0.00    +0.057 C 
ENDBRANCH  10  15
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1        1.718   0.339  -0.742  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1        2.719   1.117  -1.350  0.00  0.00    +0.145 A 
ATOM     22  F   LIG    1        2.369   2.261  -1.961  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        4.062   0.748  -1.345  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1        4.447  -0.438  -0.720  0.00  0.00    -0.012 A 
ATOM     25  C   LIG    1        3.468  -1.234  -0.113  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        2.120  -0.847  -0.124  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.838  -0.842  -0.698  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        7.014  -0.154  -0.274  0.00  0.00    +0.135 A 
ATOM     29  N   LIG    1        8.105  -0.928  -0.431  0.00  0.00    -0.173 NA
ATOM     30  N   LIG    1        7.635  -2.067  -0.959  0.00  0.00    -0.284 N 
ATOM     31  H   LIG    1        8.297  -2.804  -1.178  0.00  0.00    +0.188 HD
ATOM     32  C   LIG    1        6.283  -2.074  -1.124  0.00  0.00    +0.113 A 
BRANCH  28  33
ATOM     33  C   LIG    1        7.089   1.226   0.312  0.00  0.00    +0.392 C 
ATOM     34  F   LIG    1        8.328   1.542   0.785  0.00  0.00    -0.202 F 
ATOM     35  F   LIG    1        6.792   2.176  -0.620  0.00  0.00    -0.202 F 
ENDBRANCH  28  33
ENDBRANCH  24  27
ENDBRANCH   1  20
TORSDOF 5