REMARK  Name = BDB035928
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.377  -0.959  -1.335  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        2.144   0.170  -2.261  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1        1.386   1.341  -1.565  0.00  0.00    +0.071 C 
ATOM      4  C   LIG    1        1.215   2.514  -2.535  0.00  0.00    +0.026 C 
ATOM      5  N   LIG    1        0.112   0.939  -0.896  0.00  0.00    -0.291 NA
ATOM      6  C   LIG    1        0.419  -0.202   0.013  0.00  0.00    +0.104 C 
ATOM      7  C   LIG    1        1.137  -1.403  -0.653  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.936  -1.246   0.832  0.00  0.00    +0.125 A 
ATOM      9  N   LIG    1        5.658  -0.059   0.232  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1        4.493  -0.003  -0.466  0.00  0.00    +0.134 A 
ATOM     11  C   LIG    1        3.561  -1.040  -0.600  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        3.921  -2.240   0.032  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.108  -2.353   0.759  0.00  0.00    +0.035 A 
BRANCH   8  17
ATOM     14  C   LIG    1        9.167   0.009   2.338  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.972  -0.165   1.560  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.539   0.629   1.093  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.219  -1.319   1.605  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.540  -2.327   2.224  0.00  0.00    -0.269 OA
ENDBRANCH   8  17
ENDBRANCH   1  11
BRANCH   5  19
ATOM     19  C   LIG    1       -0.962   0.591  -1.854  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.293   0.260  -1.196  0.00  0.00    +0.056 A 
ATOM     21  N   LIG    1       -2.741  -1.011  -1.295  0.00  0.00    -0.258 NA
ATOM     22  C   LIG    1       -3.920  -1.303  -0.690  0.00  0.00    +0.119 A 
ATOM     23  C   LIG    1       -4.703  -0.400   0.036  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.988  -0.768   0.689  0.00  0.00    -0.027 C 
ATOM     25  C   LIG    1       -6.811   0.184   1.193  0.00  0.00    +0.101 C 
ATOM     26  C   LIG    1       -6.371   1.607   1.244  0.00  0.00    +0.172 C 
ATOM     27  C   LIG    1       -4.965   1.974   0.849  0.00  0.00    +0.115 C 
ATOM     28  O   LIG    1       -7.127   2.484   1.663  0.00  0.00    -0.292 OA
ATOM     29  C   LIG    1       -6.307  -2.245   0.751  0.00  0.00    +0.045 C 
ATOM     30  C   LIG    1       -4.220   0.908   0.106  0.00  0.00    -0.029 A 
ATOM     31  C   LIG    1       -3.000   1.238  -0.505  0.00  0.00    +0.029 A 
BRANCH  25  32
ATOM     32  C   LIG    1       -8.190   0.019   1.757  0.00  0.00    +0.421 C 
ATOM     33  F   LIG    1       -8.697  -1.231   1.579  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -9.100   0.844   1.176  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1       -8.223   0.245   3.096  0.00  0.00    -0.166 F 
ENDBRANCH  25  32
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 5