REMARK  Name = BDB018818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.193   0.573  -0.434  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1        0.944   0.032  -0.159  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -0.224   0.771   0.124  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -1.310  -0.089   0.324  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -2.580   0.409   0.606  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1       -2.744   1.798   0.682  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -1.654   2.657   0.487  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.882  -1.519   0.215  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -0.385   2.145   0.208  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        0.565  -1.388  -0.267  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1        2.439   1.780  -0.442  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  13
ATOM     12  N   LIG    1        4.498   0.160  -1.420  0.00  0.00    -0.252 N 
ATOM     13  C   LIG    1        3.326  -0.438  -0.698  0.00  0.00    +0.176 C 
ATOM     14  C   LIG    1        3.930  -0.948   0.605  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1        4.919   0.138   0.966  0.00  0.00    +0.267 C 
ATOM     16  F   LIG    1        5.910  -0.364   1.735  0.00  0.00    -0.204 F 
ATOM     17  F   LIG    1        4.308   1.106   1.682  0.00  0.00    -0.204 F 
ATOM     18  C   LIG    1        5.444   0.670  -0.365  0.00  0.00    +0.192 C 
BRANCH  12  20
ATOM     19  N   LIG    1        4.352   1.104  -3.726  0.00  0.00    -0.174 NA
ATOM     20  C   LIG    1        4.418   0.684  -2.650  0.00  0.00    +0.170 C 
ENDBRANCH  12  20
ENDBRANCH   1  13
BRANCH   5  21
ATOM     21  C   LIG    1       -3.704  -0.471   0.825  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1       -4.820  -0.552   0.016  0.00  0.00    +0.146 A 
ATOM     23  N   LIG    1       -5.616  -1.511   0.573  0.00  0.00    -0.273 N 
ATOM     24  H   LIG    1       -6.522  -1.840   0.248  0.00  0.00    +0.189 HD
ATOM     25  N   LIG    1       -5.093  -2.069   1.677  0.00  0.00    -0.181 NA
ATOM     26  C   LIG    1       -3.932  -1.429   1.835  0.00  0.00    +0.143 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -5.236   0.135  -1.214  0.00  0.00    +0.434 C 
ATOM     28  F   LIG    1       -5.468   1.453  -1.006  0.00  0.00    -0.164 F 
ATOM     29  F   LIG    1       -6.390  -0.391  -1.704  0.00  0.00    -0.164 F 
ATOM     30  F   LIG    1       -4.311   0.032  -2.197  0.00  0.00    -0.164 F 
ENDBRANCH  22  27
ENDBRANCH   5  21
TORSDOF 4