REMARK  Name = BDB017231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.289  -0.276  -1.744  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.219  -0.508  -2.953  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.977  -0.348  -0.961  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        2.144   0.127  -1.578  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        3.379   0.095  -0.911  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        3.446  -0.435   0.394  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        4.682  -0.463   1.059  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        5.845   0.022   0.453  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        5.774   0.544  -0.837  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        2.277  -0.928   0.995  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        4.550   0.579  -1.514  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        1.052  -0.891   0.322  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  O   LIG    1        6.972  -0.070   1.223  0.00  0.00    -0.495 OA
ATOM     14  C   LIG    1        8.185   0.398   0.647  0.00  0.00    +0.277 C 
ENDBRANCH   8  13
ENDBRANCH   1   3
BRANCH   1  16
ATOM     15  C   LIG    1       -1.605   1.088   0.063  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -1.635   0.067  -1.099  0.00  0.00    +0.077 C 
ATOM     17  C   LIG    1       -2.353  -1.241  -0.724  0.00  0.00    +0.096 C 
ATOM     18  N   LIG    1       -3.702  -0.977  -0.209  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1       -3.644  -0.134   0.990  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -3.015   1.221   0.666  0.00  0.00    +0.019 C 
BRANCH  18  21
ATOM     21  C   LIG    1       -4.556  -2.147   0.051  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -4.985  -2.833  -1.268  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -4.867  -4.170  -0.497  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -3.839  -3.465   0.421  0.00  0.00    +0.019 C 
ENDBRANCH  18  21
BRANCH  15  25
ATOM     25  C   LIG    1       -1.070   2.458  -0.415  0.00  0.00    +0.004 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -0.216   4.743   0.221  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -0.867   3.462   0.723  0.00  0.00    -0.003 C 
ENDBRANCH  25  27
ENDBRANCH  15  25
ENDBRANCH   1  16
TORSDOF 6