REMARK  Name = BDB036418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.220   0.132  -2.686  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1        0.855  -0.319  -1.926  0.00  0.00    -0.013 A 
ATOM      3  C   LIG    1        1.371   0.166  -0.608  0.00  0.00    +0.145 C 
ATOM      4  N   LIG    1        2.484  -0.739  -0.345  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1        2.713  -1.609  -1.397  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        3.609  -2.422  -1.516  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.650  -1.372  -2.381  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        1.421  -2.026  -3.576  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.337  -1.598  -4.340  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.474  -0.535  -3.901  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        3.467  -0.506   0.705  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        4.356   0.712   0.402  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        4.434   1.262  -0.695  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        5.101   1.175   1.463  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        5.678   1.981   1.262  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        4.850   0.957   2.794  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        5.389   1.641   3.659  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        3.913  -0.179   3.129  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        2.824  -0.326   2.077  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  20
ATOM     20  C   LIG    1       -1.094   1.268  -2.233  0.00  0.00    +0.140 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -2.079   1.093   0.023  0.00  0.00    +0.245 C 
ATOM     22  N   LIG    1       -2.111   0.801  -1.319  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1       -2.759   0.100  -1.655  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1       -1.218   1.774   0.565  0.00  0.00    -0.270 OA
BRANCH  21  27
ATOM     25  C   LIG    1       -5.026   1.447  -0.575  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -4.514   0.593   0.552  0.00  0.00    -0.038 A 
ATOM     27  C   LIG    1       -3.140   0.453   0.836  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -2.711  -0.307   1.931  0.00  0.00    +0.051 A 
ATOM     29  C   LIG    1       -3.649  -0.960   2.716  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1       -3.240  -1.697   3.756  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -5.006  -0.868   2.436  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1       -5.439  -0.094   1.357  0.00  0.00    +0.007 A 
ENDBRANCH  21  27
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 4