REMARK  Name = BDB017688
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.175  -2.183  -0.623  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1       -0.824  -1.865   0.578  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.778  -0.843   0.620  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -2.109  -0.103  -0.525  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -3.114   0.980  -0.407  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1       -3.386   1.787  -1.511  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -2.591   1.894  -2.135  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -4.160   3.015  -1.363  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -5.314   2.774  -0.397  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -4.798   2.236   0.941  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -3.741   1.176   0.770  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -3.402   0.369   1.972  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -3.958   0.547   3.052  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -1.486  -0.452  -1.731  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1       -2.425  -0.574   1.829  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -2.211  -1.110   2.659  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -0.533  -1.477  -1.779  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        0.865  -3.284  -0.673  0.00  0.00    +0.119 C 
BRANCH  18  22
ATOM     19  N   LIG    1        3.925  -0.543   0.283  0.00  0.00    -0.281 N 
ATOM     20  C   LIG    1        3.906  -1.761   1.103  0.00  0.00    +0.125 C 
ATOM     21  C   LIG    1        2.554  -2.495   0.951  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        2.255  -2.886  -0.437  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        2.831  -1.967  -1.430  0.00  0.00    +0.104 C 
ATOM     24  C   LIG    1        3.085  -0.531  -0.918  0.00  0.00    +0.125 C 
BRANCH  19  27
ATOM     25  C   LIG    1        4.703   2.699   0.955  0.00  0.00    +0.322 A 
ATOM     26  O   LIG    1        4.162   1.766   0.120  0.00  0.00    -0.397 OA
ATOM     27  C   LIG    1        4.352   0.611   0.834  0.00  0.00    +0.311 A 
ATOM     28  N   LIG    1        4.952   0.834   1.988  0.00  0.00    -0.092 NA
ATOM     29  N   LIG    1        5.179   2.194   2.070  0.00  0.00    -0.096 NA
BRANCH  25  31
ATOM     30  N   LIG    1        4.658   5.160   0.177  0.00  0.00    -0.186 NA
ATOM     31  C   LIG    1        4.684   4.055   0.536  0.00  0.00    +0.161 C 
ENDBRANCH  25  31
ENDBRANCH  19  27
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 4