REMARK  Name = BDB019086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.209  -0.173   0.397  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1        1.417  -1.252   0.862  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1        0.058  -1.039   0.942  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.495  -2.215   1.381  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1        0.417  -3.136   1.611  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1       -0.554   0.184   0.599  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.191   1.168   0.165  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        1.613  -2.544   1.288  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1        1.554   0.964   0.078  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.514  -1.091  -2.135  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        4.301  -0.638  -0.938  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        3.673  -0.213   0.239  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        4.484   0.185   1.307  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        5.870   0.152   1.178  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1        6.424  -0.283  -0.022  0.00  0.00    +0.107 A 
ATOM     16  N   LIG    1        5.654  -0.673  -1.075  0.00  0.00    -0.251 NA
BRANCH  15  17
ATOM     17  C   LIG    1        7.929  -0.326  -0.172  0.00  0.00    +0.390 C 
ATOM     18  F   LIG    1        8.507   0.903  -0.031  0.00  0.00    -0.202 F 
ATOM     19  F   LIG    1        8.528  -1.118   0.766  0.00  0.00    -0.202 F 
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  20
ATOM     20  N   LIG    1       -1.922   0.304   0.726  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.376  -0.284   1.415  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.576   1.592   0.569  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.062   1.391   0.489  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.671   0.773  -0.600  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.069   0.160  -1.809  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -5.334  -0.024  -2.647  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -6.480  -0.070  -1.766  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.045   0.575  -0.637  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.874   0.972   0.393  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -6.288   1.601   1.491  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -4.902   1.804   1.531  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -4.375   2.395   2.613  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5