REMARK  Name = BDB017247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.233   1.996   0.114  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.135   3.085   0.676  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.012   1.195  -0.027  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        1.884   1.130   1.065  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        3.073   0.387   0.986  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        3.394  -0.287  -0.214  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        4.585  -1.033  -0.292  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        5.452  -1.114   0.800  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        5.127  -0.444   1.979  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        2.517  -0.193  -1.308  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        3.950   0.301   2.075  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        1.336   0.548  -1.220  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  O   LIG    1        6.631  -1.804   0.844  0.00  0.00    -0.495 OA
ATOM     14  C   LIG    1        7.021  -2.495  -0.336  0.00  0.00    +0.277 C 
ENDBRANCH   8  13
ENDBRANCH   1   3
BRANCH   1  16
ATOM     15  C   LIG    1       -2.780   2.351  -0.179  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -1.541   1.471  -0.491  0.00  0.00    +0.077 C 
ATOM     17  C   LIG    1       -1.776  -0.024  -0.188  0.00  0.00    +0.096 C 
ATOM     18  N   LIG    1       -3.160  -0.466  -0.378  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1       -3.876   0.330  -1.369  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -4.039   1.767  -0.867  0.00  0.00    +0.019 C 
BRANCH  18  21
ATOM     21  C   LIG    1       -3.416  -1.910  -0.484  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -2.412  -2.966  -0.115  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1       -2.774  -2.747  -1.557  0.00  0.00    +0.020 C 
ENDBRANCH  18  21
BRANCH  15  25
ATOM     24  C   LIG    1       -3.286   1.538   2.262  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -3.069   2.696   1.304  0.00  0.00    +0.001 C 
ENDBRANCH  15  25
ENDBRANCH   1  16
TORSDOF 5