REMARK  Name = BDB016975
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.965  -1.338   0.252  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        1.385  -2.592   0.295  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        0.105  -2.391   0.504  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1       -0.177  -1.061   0.593  0.00  0.00    -0.335 N 
ATOM      5  C   LIG    1        0.994  -0.370   0.440  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        5.265   0.281  -0.505  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        3.888   0.138  -0.326  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        3.394  -1.106   0.045  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        4.208  -2.175   0.235  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        5.533  -2.010   0.053  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        6.109  -0.811  -0.312  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        7.060   1.770  -1.084  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        5.874   1.570  -0.901  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        4.967   2.552  -1.046  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        5.505   3.330  -1.308  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -1.488  -0.487   0.837  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.239  -0.209  -0.474  0.00  0.00    +0.106 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.581   0.365  -0.378  0.00  0.00    -0.301 NA
ATOM     19  C   LIG    1       -4.574  -0.466   0.293  0.00  0.00    +0.084 C 
ATOM     20  C   LIG    1       -5.761   0.477   0.431  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1       -5.165   1.882   0.395  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -3.663   1.676   0.255  0.00  0.00    +0.084 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6