REMARK  Name = BDB016957
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.662   0.612   1.799  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1       -1.909   0.974   3.107  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -0.927   1.356   4.093  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1       -3.256   0.933   3.317  0.00  0.00    +0.200 A 
ATOM      5  N   LIG    1       -3.902   0.572   2.234  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -2.925   0.366   1.272  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        2.286   0.503   0.117  0.00  0.00    -0.039 A 
ATOM      8  C   LIG    1        1.425   1.591  -0.107  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1        0.136   1.627   0.434  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -0.327   0.567   1.215  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        0.508  -0.528   1.443  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        1.796  -0.557   0.898  0.00  0.00    +0.005 A 
BRANCH   7  13
ATOM     13  C   LIG    1        3.682   0.456  -0.495  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1        4.865   0.260   0.447  0.00  0.00    +0.015 C 
ATOM     15  C   LIG    1        4.634   1.602  -0.177  0.00  0.00    +0.015 C 
BRANCH  13  16
ATOM     16  C   LIG    1        3.711  -0.121  -1.907  0.00  0.00    +0.171 C 
BRANCH  16  18
ATOM     17  C   LIG    1        5.363  -1.735  -2.428  0.00  0.00    +0.194 C 
ATOM     18  O   LIG    1        5.046  -0.351  -2.369  0.00  0.00    -0.382 OA
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   6  19
ATOM     19  C   LIG    1       -3.260  -0.054  -0.087  0.00  0.00    +0.092 A 
ATOM     20  N   LIG    1       -2.257  -0.469  -0.898  0.00  0.00    -0.253 NA
ATOM     21  C   LIG    1       -2.571  -0.852  -2.153  0.00  0.00    +0.112 A 
ATOM     22  C   LIG    1       -3.860  -0.868  -2.645  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1       -4.884  -0.468  -1.791  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1       -4.587  -0.035  -0.499  0.00  0.00    +0.045 A 
BRANCH  23  25
ATOM     25  C   LIG    1       -6.270  -0.482  -2.305  0.00  0.00    +0.337 C 
ATOM     26  O   LIG    1       -6.543  -0.232  -3.466  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -7.187  -0.848  -1.385  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1       -6.828  -1.166  -0.536  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH   6  19
TORSDOF 7