REMARK  Name = BDB020820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.373  -1.022  -0.149  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        1.452  -1.199  -1.069  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1        2.646  -1.664  -0.568  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        3.461  -1.813  -1.651  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        2.843  -1.408  -2.737  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.847  -1.945   0.786  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        1.855  -1.816   1.627  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.577  -1.013  -2.369  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.652  -1.350   1.135  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -4.935   0.680  -1.361  0.00  0.00    +0.285 C 
ATOM     11  N   LIG    1       -3.571   0.444  -1.148  0.00  0.00    -0.293 N 
ATOM     12  C   LIG    1       -2.743   1.252  -0.255  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -1.676   0.402   0.439  0.00  0.00    +0.054 C 
ATOM     14  C   LIG    1       -0.955  -0.512  -0.525  0.00  0.00    -0.036 C 
ATOM     15  C   LIG    1       -1.528  -0.797  -1.711  0.00  0.00    -0.004 C 
ATOM     16  C   LIG    1       -2.868  -0.312  -2.176  0.00  0.00    +0.135 C 
ATOM     17  O   LIG    1       -5.528   0.158  -2.313  0.00  0.00    -0.269 OA
BRANCH  10  19
ATOM     18  C   LIG    1       -7.159   1.705  -0.662  0.00  0.00    +0.095 C 
ATOM     19  C   LIG    1       -5.674   1.606  -0.368  0.00  0.00    +0.320 C 
ATOM     20  F   LIG    1       -5.532   1.174   0.923  0.00  0.00    -0.196 F 
ATOM     21  F   LIG    1       -5.160   2.874  -0.390  0.00  0.00    -0.196 F 
ENDBRANCH  10  19
ENDBRANCH   1  14
BRANCH   6  22
ATOM     22  N   LIG    1        4.062  -2.383   1.276  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1        3.913  -2.610   2.259  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        5.258  -1.544   1.177  0.00  0.00    +0.178 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.079  -0.129   1.599  0.00  0.00    +0.122 A 
ATOM     26  O   LIG    1        4.761   0.758   0.612  0.00  0.00    -0.466 OA
ATOM     27  C   LIG    1        4.620   1.973   1.200  0.00  0.00    +0.195 A 
ATOM     28  C   LIG    1        4.845   1.880   2.553  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1        5.140   0.520   2.814  0.00  0.00    +0.046 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 5