REMARK  Name = BDB017254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.055  -1.471  -0.132  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        2.051  -1.388   0.848  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        3.141  -0.518   0.689  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.233   0.269  -0.481  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        4.324   1.140  -0.638  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        5.317   1.246   0.347  0.00  0.00    -0.022 A 
ATOM      7  C   LIG    1        5.222   0.454   1.495  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        2.239   0.157  -1.466  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        4.143  -0.416   1.666  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        1.158  -0.713  -1.297  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1        0.207  -3.541   0.510  0.00  0.00    -0.292 OA
ATOM     12  C   LIG    1       -0.069  -2.413   0.099  0.00  0.00    +0.167 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.514  -2.000  -0.163  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -1.828  -0.549   0.231  0.00  0.00    +0.096 C 
ATOM     15  N   LIG    1       -3.256  -0.276   0.009  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1       -3.658  -0.464  -1.398  0.00  0.00    +0.085 C 
ATOM     17  C   LIG    1       -2.618  -1.159  -2.284  0.00  0.00    +0.016 C 
ATOM     18  C   LIG    1       -1.965  -2.348  -1.587  0.00  0.00    +0.014 C 
BRANCH  15  19
ATOM     19  C   LIG    1       -3.595   1.081   0.462  0.00  0.00    +0.057 C 
ATOM     20  C   LIG    1       -5.138   1.242   0.550  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1       -4.902   1.968   1.891  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -3.605   1.140   2.014  0.00  0.00    +0.019 C 
ENDBRANCH  15  19
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   6  23
ATOM     23  C   LIG    1        6.489   2.167   0.141  0.00  0.00    +0.191 C 
BRANCH  23  24
ATOM     24  O   LIG    1        7.417   1.596  -0.772  0.00  0.00    -0.390 OA
ATOM     25  H   LIG    1        7.220   0.645  -0.839  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 5