REMARK  Name = BDB017147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.368   2.198  -0.506  0.00  0.00    -0.292 OA
ATOM      2  C   LIG    1        0.576   1.009  -0.268  0.00  0.00    +0.167 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        1.991   0.540  -0.178  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1        2.975   1.477   0.152  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        4.325   1.111   0.245  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        4.713  -0.230   0.001  0.00  0.00    -0.012 A 
ATOM      7  C   LIG    1        6.090  -0.541   0.096  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        7.040   0.428   0.425  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        6.641   1.735   0.666  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.711  -1.182  -0.334  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1        5.293   2.074   0.576  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        2.364  -0.780  -0.433  0.00  0.00    +0.018 A 
BRANCH  10  13
ATOM     13  C   LIG    1        4.043  -2.627  -0.632  0.00  0.00    +0.191 C 
BRANCH  13  14
ATOM     14  O   LIG    1        4.617  -2.768  -1.923  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1        4.730  -1.880  -2.305  0.00  0.00    +0.210 HD
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   2   3
BRANCH   2  16
ATOM     16  C   LIG    1       -0.563   0.008  -0.078  0.00  0.00    +0.074 C 
ATOM     17  C   LIG    1       -1.624   0.569   0.900  0.00  0.00    +0.096 C 
ATOM     18  N   LIG    1       -2.991   0.725   0.365  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1       -2.896   1.369  -0.947  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -2.189   0.526  -2.006  0.00  0.00    +0.016 C 
ATOM     21  C   LIG    1       -1.109  -0.403  -1.449  0.00  0.00    +0.014 C 
BRANCH  18  22
ATOM     22  C   LIG    1       -3.796  -0.509   0.436  0.00  0.00    +0.057 C 
ATOM     23  C   LIG    1       -4.287  -0.746   1.879  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1       -5.492   0.178   2.046  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -6.046   0.392   0.638  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -5.160  -0.449  -0.275  0.00  0.00    +0.019 C 
ENDBRANCH  18  22
ENDBRANCH   2  16
TORSDOF 5