REMARK  Name = BDB017038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.678   0.675   0.423  0.00  0.00    -0.329 N 
ATOM      2  C   LIG    1        0.382   0.167  -0.276  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.485   0.374   0.526  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.111   0.999   1.697  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.190   1.159   1.607  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.854  -0.003   0.199  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.062  -0.586  -1.012  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.326  -0.939  -1.325  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.408  -0.740  -0.489  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.174  -0.141   0.748  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        3.879   0.236   1.102  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.268   0.114   1.711  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        6.155   0.632   2.805  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        7.466  -0.296   1.256  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        8.080  -0.068   1.986  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -2.083   0.731   0.008  0.00  0.00    +0.121 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.720  -0.639   0.223  0.00  0.00    -0.024 A 
ATOM     18  C   LIG    1       -2.514  -1.705  -0.668  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1       -3.104  -2.950  -0.441  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -3.905  -3.150   0.680  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.114  -2.107   1.579  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.525  -0.861   1.354  0.00  0.00    +0.006 A 
ENDBRANCH  16  17
BRANCH  16  24
ATOM     23  C   LIG    1       -3.782   1.427  -1.774  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1       -2.292   1.336  -1.415  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1       -1.682   2.742  -1.524  0.00  0.00    +0.009 C 
ENDBRANCH  16  24
ENDBRANCH   1  16
TORSDOF 6