REMARK  Name = BDB036211
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.024  -0.516   0.540  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -1.614  -1.935   0.634  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.367  -2.227  -0.234  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.808  -1.393   0.103  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.400  -0.010   0.453  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -1.014   0.396  -0.024  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.104   0.220   0.045  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1       -5.706  -0.491   1.121  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1       -4.371  -0.704   1.285  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1       -4.016  -1.433   2.551  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -3.384  -0.254   0.378  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -3.858   0.497  -0.709  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -5.221   0.738  -0.887  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -9.351   2.078  -0.528  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -7.956   1.716  -0.499  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -7.279   2.461  -0.397  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -7.579   0.440  -0.103  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -8.385  -0.455   0.127  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        1.794  -1.437  -0.988  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.160  -0.941  -0.576  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.856  -0.032  -1.377  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1        3.295   0.427  -2.507  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        5.129   0.416  -1.020  0.00  0.00    +0.104 A 
ATOM     24  C   LIG    1        5.745  -0.047   0.151  0.00  0.00    +0.094 A 
ATOM     25  N   LIG    1        7.026   0.375   0.553  0.00  0.00    -0.207 NA
ATOM     26  C   LIG    1        7.640   1.226  -0.213  0.00  0.00    +0.282 A 
ATOM     27  C   LIG    1        7.058   1.797  -1.519  0.00  0.00    +0.311 A 
ATOM     28  O   LIG    1        7.665   2.597  -2.215  0.00  0.00    -0.262 OA
ATOM     29  C   LIG    1        5.060  -0.964   0.950  0.00  0.00    +0.030 A 
ATOM     30  N   LIG    1        5.804   1.334  -1.837  0.00  0.00    -0.314 N 
ATOM     31  H   LIG    1        5.374   1.675  -2.688  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1        3.783  -1.411   0.591  0.00  0.00    +0.010 A 
BRANCH  26  33
ATOM     33  O   LIG    1        8.868   1.718   0.043  0.00  0.00    -0.476 OA
ATOM     34  C   LIG    1        9.498   1.248   1.238  0.00  0.00    +0.279 C 
ENDBRANCH  26  33
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5