REMARK  Name = BDB017046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.132  -0.524  -0.759  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        1.492  -1.484  -1.518  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        0.269  -1.044  -1.701  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.078   0.154  -1.079  0.00  0.00    -0.336 N 
ATOM      5  C   LIG    1        1.259   0.514  -0.488  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        5.565   0.318   0.497  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        4.240   0.493   0.091  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        3.523  -0.623  -0.321  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        4.071  -1.864  -0.341  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        5.352  -2.003   0.053  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        6.137  -0.952   0.480  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        7.562   1.382   1.307  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        6.401   1.452   0.950  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        5.741   2.624   0.938  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.408   3.271   1.253  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -1.148   0.932  -1.084  0.00  0.00    +0.131 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.928   0.884   0.250  0.00  0.00    +0.039 C 
ATOM     18  C   LIG    1       -2.712  -0.412   0.389  0.00  0.00    -0.039 A 
ATOM     19  C   LIG    1       -4.090  -0.472   0.101  0.00  0.00    -0.044 A 
ATOM     20  C   LIG    1       -4.764  -1.700   0.207  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -4.085  -2.856   0.588  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -2.729  -2.796   0.886  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.896   0.759  -0.236  0.00  0.00    +0.035 C 
ATOM     24  C   LIG    1       -4.052   1.982  -0.580  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -2.048  -1.582   0.793  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -2.865   2.102   0.368  0.00  0.00    +0.010 C 
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 5