REMARK  Name = BDB021262
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.468  -0.326  -0.099  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1       -2.139   0.624   0.920  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.910   1.249   0.823  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.835   2.160   1.851  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -2.007   2.007   2.554  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        0.013   0.961  -0.198  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.295   0.104  -1.131  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.805   1.050   1.980  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -1.526  -0.514  -1.051  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -4.603  -0.502  -2.547  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1       -4.649  -1.137  -1.205  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1       -3.711  -1.043  -0.139  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -4.257  -1.796   0.883  0.00  0.00    +0.041 A 
ATOM     14  C   LIG    1       -3.809  -2.105   2.261  0.00  0.00    +0.065 C 
ATOM     15  N   LIG    1       -5.441  -2.273   0.392  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1       -6.125  -2.853   0.865  0.00  0.00    +0.189 HD
ATOM     17  N   LIG    1       -5.687  -1.915  -0.877  0.00  0.00    -0.178 NA
ENDBRANCH   1  12
BRANCH   5  18
ATOM     18  C   LIG    1       -2.411   2.719   3.728  0.00  0.00    +0.121 C 
ATOM     19  N   LIG    1       -2.702   3.308   4.685  0.00  0.00    -0.189 NA
ENDBRANCH   5  18
BRANCH   6  20
ATOM     20  N   LIG    1        1.243   1.579  -0.239  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.670   1.371  -1.141  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.208   1.359   0.835  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.584   1.133   0.277  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        3.937  -0.038  -0.389  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        3.121  -1.226  -0.743  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        4.240  -2.181  -1.160  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        5.398  -1.406  -1.548  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        5.214  -0.207  -0.910  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        6.189   0.765  -0.805  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        5.861   1.943  -0.134  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        4.575   2.116   0.397  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1        4.298   3.263   1.033  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5