REMARK  Name = BDB042526
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.107  -0.290  -1.028  0.00  0.00    -0.041 C 
ATOM      2  C   LIG    1       -2.179  -1.477  -1.038  0.00  0.00    +0.054 C 
ATOM      3  C   LIG    1       -0.941  -1.222  -1.899  0.00  0.00    +0.113 C 
ATOM      4  N   LIG    1       -0.369   0.102  -1.656  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        1.019   0.228  -1.727  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        1.755  -0.744  -1.900  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -1.269   1.239  -1.832  0.00  0.00    +0.135 C 
ATOM      8  C   LIG    1       -2.675   0.925  -1.413  0.00  0.00    -0.004 C 
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1       -6.650  -1.611  -0.868  0.00  0.00    +0.087 A 
ATOM     10  C   LIG    1       -7.155  -0.873   0.199  0.00  0.00    +0.141 A 
ATOM     11  F   LIG    1       -8.423  -1.039   0.602  0.00  0.00    -0.204 F 
ATOM     12  C   LIG    1       -6.358   0.050   0.867  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -5.035   0.240   0.463  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -4.503  -0.493  -0.610  0.00  0.00    -0.021 A 
ATOM     15  C   LIG    1       -5.322  -1.420  -1.272  0.00  0.00    +0.030 A 
BRANCH   9  17
ATOM     16  N   LIG    1       -8.126  -3.326  -2.128  0.00  0.00    -0.191 NA
ATOM     17  C   LIG    1       -7.481  -2.553  -1.551  0.00  0.00    +0.102 C 
ENDBRANCH   9  17
ENDBRANCH   1  14
BRANCH   5  18
ATOM     18  C   LIG    1        1.585   1.637  -1.595  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.115   1.665  -1.529  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.648   1.280  -0.169  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1        3.579   2.231   0.824  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1        3.190   3.146   0.630  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1        4.019   2.060   2.122  0.00  0.00    +0.259 A 
ATOM     24  O   LIG    1        3.910   2.966   2.938  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1        4.611   0.740   2.445  0.00  0.00    +0.082 A 
ATOM     26  C   LIG    1        4.690  -0.227   1.430  0.00  0.00    -0.008 A 
ATOM     27  C   LIG    1        5.244  -1.482   1.714  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        5.718  -1.768   2.996  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        5.638  -0.803   3.999  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1        5.086   0.447   3.721  0.00  0.00    +0.136 A 
ATOM     31  F   LIG    1        5.028   1.342   4.716  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        4.190   0.080   0.088  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5