REMARK  Name = BDB017285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.502  -0.784  -0.222  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        4.950   0.141   0.671  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        3.558   0.286   0.768  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        2.714  -0.523  -0.029  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.318  -0.378   0.070  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.751   0.558   0.946  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        1.597   1.351   1.732  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        3.288  -1.466  -0.899  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        2.985   1.217   1.645  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        4.674  -1.603  -0.990  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        9.217  -0.025  -0.460  0.00  0.00    +0.132 C 
ATOM     12  N   LIG    1        7.777   0.151  -0.528  0.00  0.00    -0.304 N 
ATOM     13  C   LIG    1        6.969  -0.964  -0.311  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1        7.408  -2.104  -0.170  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        7.314   1.408  -1.102  0.00  0.00    +0.132 C 
ENDBRANCH   1  13
BRANCH   6  16
ATOM     16  C   LIG    1       -0.729   0.751   1.088  0.00  0.00    +0.167 C 
ATOM     17  O   LIG    1       -1.137   1.578   1.904  0.00  0.00    -0.292 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -1.688  -0.077   0.235  0.00  0.00    +0.074 C 
ATOM     19  C   LIG    1       -3.053   0.632   0.130  0.00  0.00    +0.096 C 
ATOM     20  N   LIG    1       -4.026  -0.277  -0.485  0.00  0.00    -0.299 NA
ATOM     21  C   LIG    1       -4.317  -1.436   0.369  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1       -3.202  -1.766   1.371  0.00  0.00    +0.016 C 
ATOM     23  C   LIG    1       -1.818  -1.509   0.785  0.00  0.00    +0.014 C 
BRANCH  20  24
ATOM     24  C   LIG    1       -5.200   0.421  -1.016  0.00  0.00    +0.057 C 
ATOM     25  C   LIG    1       -6.249  -0.465  -1.696  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1       -7.410   0.496  -1.922  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -7.372   1.471  -0.745  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -6.043   1.231  -0.024  0.00  0.00    +0.019 C 
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4