REMARK  Name = BDB017297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.649  -1.081   0.179  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.945  -1.490   1.300  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.792  -0.757  -0.077  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        1.633  -0.578   1.028  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        2.994  -0.265   0.875  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        3.560  -0.137  -0.415  0.00  0.00    -0.010 A 
ATOM      7  C   LIG    1        4.952   0.174  -0.527  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1        5.726   0.391   0.636  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1        5.141   0.256   1.893  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        2.691  -0.324  -1.517  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        3.792  -0.074   2.009  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        1.333  -0.629  -1.354  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  O   LIG    1        7.040   0.723   0.430  0.00  0.00    -0.495 OA
ATOM     14  C   LIG    1        7.810   1.100   1.566  0.00  0.00    +0.277 C 
ENDBRANCH   8  13
BRANCH   7  15
ATOM     15  C   LIG    1        5.620   0.317  -1.885  0.00  0.00    +0.157 C 
BRANCH  15  16
ATOM     16  C   LIG    1        5.422   1.649  -2.475  0.00  0.00    +0.067 C 
ATOM     17  N   LIG    1        5.255   2.685  -2.973  0.00  0.00    -0.196 NA
ENDBRANCH  15  16
ENDBRANCH   7  15
ENDBRANCH   1   3
BRANCH   1  19
ATOM     18  C   LIG    1       -3.049  -1.576  -0.761  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1       -1.685  -0.867  -0.934  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1       -1.934   0.650  -1.085  0.00  0.00    +0.096 C 
ATOM     21  N   LIG    1       -2.704   1.214   0.037  0.00  0.00    -0.299 NA
ATOM     22  C   LIG    1       -4.001   0.549   0.211  0.00  0.00    +0.085 C 
ATOM     23  C   LIG    1       -3.848  -0.970   0.395  0.00  0.00    +0.019 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -2.706   2.689  -0.059  0.00  0.00    +0.057 C 
ATOM     25  C   LIG    1       -3.428   3.359   1.125  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1       -4.635   3.639   0.209  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1       -3.768   3.270  -1.009  0.00  0.00    +0.019 C 
ENDBRANCH  21  24
BRANCH  18  28
ATOM     28  C   LIG    1       -3.042  -3.116  -0.853  0.00  0.00    +0.004 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -3.050  -4.026   1.551  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -2.353  -3.980   0.202  0.00  0.00    -0.003 C 
ENDBRANCH  28  30
ENDBRANCH  18  28
ENDBRANCH   1  19
TORSDOF 8