REMARK  Name = BDB018417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.152  -5.565  -0.673  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        0.495  -4.288  -0.414  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        1.881  -4.211  -0.443  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        2.637  -5.147  -0.686  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        2.456  -2.874  -0.159  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        1.672  -1.816   0.120  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1        0.207  -1.970   0.141  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -0.298  -3.191  -0.127  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        2.386  -0.541   0.348  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        3.117  -0.336   1.526  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        3.789   0.871   1.738  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        3.744   1.886   0.773  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        3.001   1.690  -0.397  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        2.331   0.481  -0.609  0.00  0.00    +0.009 A 
BRANCH  12  15
ATOM     15  C   LIG    1        4.481   3.149   1.048  0.00  0.00    +0.242 C 
ATOM     16  O   LIG    1        4.842   3.451   2.178  0.00  0.00    -0.270 OA
ATOM     17  N   LIG    1        4.787   3.951  -0.017  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        5.393   4.736   0.188  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        4.771   3.616  -0.968  0.00  0.00    +0.145 HD
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  20
ATOM     20  C   LIG    1       -0.667  -0.872   0.437  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -1.766  -0.484  -0.297  0.00  0.00    +0.123 A 
ATOM     22  N   LIG    1       -2.325   0.610   0.341  0.00  0.00    -0.238 N 
ATOM     23  N   LIG    1       -1.629   0.915   1.456  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1       -0.633   0.031   1.509  0.00  0.00    +0.143 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -3.469   1.371  -0.058  0.00  0.00    +0.083 A 
ATOM     26  C   LIG    1       -3.984   2.427   0.725  0.00  0.00    +0.077 A 
ATOM     27  C   LIG    1       -5.110   3.139   0.264  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -5.723   2.820  -0.946  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.220   1.780  -1.715  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -4.104   1.060  -1.279  0.00  0.00    +0.029 A 
BRANCH  26  31
ATOM     31  C   LIG    1       -3.465   2.850   2.001  0.00  0.00    +0.101 C 
ATOM     32  N   LIG    1       -3.143   3.269   3.036  0.00  0.00    -0.191 NA
ENDBRANCH  26  31
ENDBRANCH  22  25
ENDBRANCH   7  20
TORSDOF 5