REMARK  Name = BDB017281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.529  -0.276  -0.861  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        4.590   0.250  -1.765  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        3.269   0.542  -1.380  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1        2.871   0.300  -0.049  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.553   0.589   0.346  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.632   1.102  -0.574  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        1.034   1.356  -1.888  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        3.809  -0.222   0.851  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        2.341   1.074  -2.289  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        5.121  -0.508   0.449  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        8.120  -1.399   0.566  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1        7.981  -0.999  -0.871  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1        6.813  -0.521  -1.382  0.00  0.00    -0.286 N 
ATOM     14  H   LIG    1        6.939  -0.305  -2.365  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1        8.945  -1.096  -1.637  0.00  0.00    -0.276 OA
ENDBRANCH   1  13
BRANCH   6  16
ATOM     16  C   LIG    1       -0.770   1.427  -0.191  0.00  0.00    +0.167 C 
ATOM     17  O   LIG    1       -1.270   2.428  -0.702  0.00  0.00    -0.292 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -1.490   0.562   0.855  0.00  0.00    +0.074 C 
ATOM     19  C   LIG    1       -2.951   1.015   1.058  0.00  0.00    +0.095 C 
ATOM     20  N   LIG    1       -3.842   0.577  -0.023  0.00  0.00    -0.301 NA
ATOM     21  C   LIG    1       -3.833  -0.867  -0.224  0.00  0.00    +0.084 C 
ATOM     22  C   LIG    1       -2.418  -1.343  -0.543  0.00  0.00    +0.016 C 
ATOM     23  C   LIG    1       -1.439  -0.944   0.558  0.00  0.00    +0.014 C 
BRANCH  20  24
ATOM     24  C   LIG    1       -5.184   1.157   0.050  0.00  0.00    +0.088 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -6.012   0.692   1.212  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1       -7.512   0.852   1.166  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -6.905  -0.520   1.107  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 5