REMARK  Name = BDB042684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.182   0.164  -0.564  0.00  0.00    +0.073 C 
ATOM      2  C   LIG    1       -1.981   0.452  -1.480  0.00  0.00    +0.041 C 
ATOM      3  C   LIG    1       -0.668   0.334  -0.719  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1       -0.615   1.230   0.434  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1        0.556   1.559   1.112  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.568   2.346   2.058  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -1.881   1.808   0.887  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -3.006   0.782   0.835  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   1   9
ATOM      9  N   LIG    1       -4.399   0.678  -1.203  0.00  0.00    -0.341 N 
ATOM     10  H   LIG    1       -4.275   0.943  -2.179  0.00  0.00    +0.146 HD
BRANCH   9  14
ATOM     11  C   LIG    1       -8.275  -0.883  -0.571  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -7.242  -1.239   0.296  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -5.947  -0.742   0.095  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -5.649   0.095  -0.986  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -6.710   0.471  -1.825  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -8.007  -0.019  -1.633  0.00  0.00    +0.020 A 
BRANCH  11  18
ATOM     17  N   LIG    1      -10.672  -1.803  -0.202  0.00  0.00    -0.191 NA
ATOM     18  C   LIG    1       -9.600  -1.389  -0.366  0.00  0.00    +0.099 C 
ENDBRANCH  11  18
ENDBRANCH   9  14
ENDBRANCH   1   9
BRANCH   5  19
ATOM     19  C   LIG    1        1.834   0.895   0.621  0.00  0.00    +0.102 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.021   1.220   1.533  0.00  0.00    +0.062 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.353   0.600   1.161  0.00  0.00    +0.020 A 
ATOM     22  N   LIG    1        5.387   0.887   2.026  0.00  0.00    -0.326 N 
ATOM     23  H   LIG    1        5.219   1.476   2.835  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1        6.688   0.442   1.905  0.00  0.00    +0.259 A 
ATOM     25  O   LIG    1        7.535   0.754   2.732  0.00  0.00    -0.267 OA
ATOM     26  C   LIG    1        6.976  -0.419   0.736  0.00  0.00    +0.082 A 
ATOM     27  C   LIG    1        5.930  -0.716  -0.151  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1        6.181  -1.529  -1.266  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1        7.463  -2.038  -1.491  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        8.497  -1.738  -0.606  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        8.251  -0.931   0.504  0.00  0.00    +0.136 A 
ATOM     32  F   LIG    1        9.276  -0.669   1.327  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        4.587  -0.178   0.091  0.00  0.00    +0.030 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 6