REMARK  Name = BDB014439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.233  -0.275  -0.860  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.067  -0.953   0.391  0.00  0.00    -0.389 OA
ATOM      3  H   LIG    1        0.463  -0.378   0.979  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        1.062   0.466  -1.263  0.00  0.00    +0.136 C 
BRANCH   4   7
ATOM      5  O   LIG    1        2.548   0.067   1.050  0.00  0.00    -0.272 OA
ATOM      6  C   LIG    1        2.885  -0.551   0.043  0.00  0.00    +0.251 C 
ATOM      7  N   LIG    1        2.246  -0.375  -1.175  0.00  0.00    -0.310 N 
ATOM      8  H   LIG    1        2.378  -1.081  -1.889  0.00  0.00    +0.149 HD
BRANCH   6   9
ATOM      9  C   LIG    1        4.026  -1.575  -0.003  0.00  0.00    +0.324 C 
BRANCH   9  10
ATOM     10  O   LIG    1        4.901  -1.579   1.111  0.00  0.00    -0.483 OA
BRANCH  10  11
ATOM     11  C   LIG    1        5.905  -0.651   1.143  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1        6.057   0.432   0.277  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1        7.139   1.306   0.429  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        8.070   1.103   1.446  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        7.918   0.029   2.318  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        6.837  -0.842   2.167  0.00  0.00    +0.045 A 
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   4   7
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1       -1.408   0.733  -0.784  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.718   0.162  -0.414  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -3.685   1.248  -0.155  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -5.104   0.776   0.080  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -5.518  -0.503  -0.327  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -6.844  -0.906  -0.125  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -7.764  -0.032   0.455  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -7.364   1.244   0.843  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.515  -1.460  -0.916  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -6.041   1.648   0.654  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.253  -0.752  -1.430  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8