REMARK  Name = BDB002004
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.651  -2.015  -0.189  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1        4.961   1.366  -0.797  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1        4.697  -0.002  -0.711  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        3.377  -0.442  -0.584  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1        2.314   0.466  -0.541  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1        0.949  -0.042  -0.409  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        0.699  -1.361  -0.325  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1        1.841  -2.329  -0.370  0.00  0.00    +0.254 A 
ATOM      9  O   LIG    1        1.662  -3.541  -0.288  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1        2.580   1.832  -0.627  0.00  0.00    +0.013 A 
ATOM     11  N   LIG    1        3.103  -1.812  -0.496  0.00  0.00    -0.322 N 
ATOM     12  H   LIG    1        3.853  -2.488  -0.527  0.00  0.00    +0.169 HD
ATOM     13  C   LIG    1        3.899   2.276  -0.754  0.00  0.00    +0.046 A 
BRANCH   2  15
ATOM     14  C   LIG    1        7.314   1.065  -0.990  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        6.196   1.942  -0.923  0.00  0.00    -0.495 OA
ENDBRANCH   2  15
ENDBRANCH   1   7
BRANCH   1  16
ATOM     16  N   LIG    1       -1.698  -1.058   0.188  0.00  0.00    -0.291 N 
ATOM     17  C   LIG    1       -2.549  -0.589  -0.812  0.00  0.00    +0.250 C 
ATOM     18  O   LIG    1       -2.496  -0.958  -1.983  0.00  0.00    -0.270 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -3.601   0.380  -0.472  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1       -3.276   1.691  -0.133  0.00  0.00    +0.135 A 
ATOM     21  F   LIG    1       -1.996   2.086  -0.064  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -4.280   2.612   0.152  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1       -5.619   2.222   0.077  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -5.949   0.915  -0.290  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.941  -0.008  -0.575  0.00  0.00    +0.016 A 
ENDBRANCH  17  19
BRANCH  16  26
ATOM     26  C   LIG    1       -1.877  -0.805   1.624  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.824  -1.810   2.284  0.00  0.00    +0.174 C 
BRANCH  27  28
ATOM     28  O   LIG    1       -2.984  -1.486   3.660  0.00  0.00    -0.393 OA
ATOM     29  H   LIG    1       -3.563  -2.165   4.047  0.00  0.00    +0.209 HD
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  16  26
ENDBRANCH   1  16
TORSDOF 7