REMARK  Name = BDB036185
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.405   0.291   0.105  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -1.491   0.578   1.227  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.033   0.583   0.714  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.247   1.648  -0.283  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.991   2.055  -0.986  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -2.054   0.946  -1.175  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.476  -0.294   0.795  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1       -5.916  -0.902  -0.283  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1       -4.580  -0.716  -0.477  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1       -4.010  -1.477  -1.641  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -3.765   0.092   0.351  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -4.406   0.678   1.454  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -5.769   0.492   1.684  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -9.937  -1.590   0.004  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -8.521  -1.355   0.063  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -7.913  -1.657  -0.695  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -7.947  -0.513   0.992  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -8.561   0.031   1.902  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        1.291   1.227  -1.233  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.644   1.037  -0.587  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.342  -0.164  -0.732  0.00  0.00    +0.133 A 
ATOM     22  F   LIG    1        2.793  -1.166  -1.436  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        4.605  -0.354  -0.162  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1        5.319  -1.662  -0.316  0.00  0.00    +0.121 C 
ATOM     25  C   LIG    1        6.792  -1.518  -0.076  0.00  0.00    +0.184 C 
ATOM     26  C   LIG    1        7.184  -0.482   0.952  0.00  0.00    +0.118 C 
ATOM     27  N   LIG    1        6.425   0.538   1.226  0.00  0.00    -0.245 NA
ATOM     28  O   LIG    1        7.645  -2.195  -0.631  0.00  0.00    -0.290 OA
ATOM     29  C   LIG    1        5.184   0.675   0.588  0.00  0.00    +0.071 A 
ATOM     30  C   LIG    1        4.496   1.881   0.737  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        3.241   2.068   0.151  0.00  0.00    +0.010 A 
BRANCH  26  32
ATOM     32  C   LIG    1        8.505  -0.669   1.655  0.00  0.00    +0.215 C 
ATOM     33  F   LIG    1        8.702  -1.965   2.033  0.00  0.00    -0.239 F 
ATOM     34  C   LIG    1        9.672  -0.222   0.795  0.00  0.00    +0.050 C 
ENDBRANCH  26  32
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5