REMARK  Name = BDB003886
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.504  -0.562  -0.234  0.00  0.00    -0.255 N 
ATOM      2  C   LIG    1       -2.281   0.548   0.120  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1       -1.920   1.683   0.400  0.00  0.00    -0.274 OA
ATOM      4  C   LIG    1       -3.744   0.099   0.237  0.00  0.00    +0.125 C 
ATOM      5  C   LIG    1       -4.648   1.056  -0.537  0.00  0.00    +0.234 C 
ATOM      6  O   LIG    1       -4.260   1.644  -1.550  0.00  0.00    -0.274 OA
ATOM      7  N   LIG    1       -5.986   1.145  -0.248  0.00  0.00    -0.256 N 
ATOM      8  H   LIG    1       -6.407   1.650  -1.021  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1       -6.762   0.067   0.080  0.00  0.00    +0.219 C 
ATOM     10  O   LIG    1       -7.674  -0.298  -0.658  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -6.465  -0.641   1.381  0.00  0.00    +0.096 C 
ATOM     12  C   LIG    1       -5.450   0.078   2.249  0.00  0.00    +0.011 C 
ATOM     13  C   LIG    1       -4.012  -0.052   1.754  0.00  0.00    +0.026 C 
ATOM     14  C   LIG    1       -3.720  -1.249  -0.508  0.00  0.00    +0.045 C 
ATOM     15  C   LIG    1       -2.296  -1.749  -0.373  0.00  0.00    +0.116 C 
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1        2.686  -0.491  -0.489  0.00  0.00    +0.077 A 
ATOM     17  C   LIG    1        1.916   0.631  -0.243  0.00  0.00    +0.128 A 
ATOM     18  N   LIG    1        0.561   0.612  -0.156  0.00  0.00    -0.239 NA
ATOM     19  C   LIG    1       -0.093  -0.554  -0.321  0.00  0.00    +0.128 A 
ATOM     20  C   LIG    1        0.615  -1.731  -0.570  0.00  0.00    +0.045 A 
ATOM     21  C   LIG    1        2.012  -1.698  -0.654  0.00  0.00    +0.020 A 
BRANCH  16  22
ATOM     22  C   LIG    1        4.161  -0.455  -0.579  0.00  0.00    +0.341 C 
ATOM     23  O   LIG    1        4.833  -1.452  -0.784  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1        4.612   0.807  -0.403  0.00  0.00    -0.455 OA
BRANCH  24  26
ATOM     25  C   LIG    1        6.122   2.619  -0.210  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1        6.032   1.104  -0.450  0.00  0.00    +0.106 C 
ATOM     27  C   LIG    1        6.787   0.383   0.673  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        6.620   0.789  -1.829  0.00  0.00    +0.055 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  19
TORSDOF 4