REMARK  Name = BDB053705
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.998   3.675  -1.560  0.00  0.00    +0.216 A 
ATOM      2  N   LIG    1       -0.794   3.923  -2.108  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1        0.216   3.052  -1.882  0.00  0.00    +0.125 A 
ATOM      4  C   LIG    1        0.017   1.904  -1.100  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        0.885   0.866  -0.654  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1        0.103  -0.067   0.010  0.00  0.00    +0.219 A 
ATOM      7  N   LIG    1       -1.182   0.459   0.147  0.00  0.00    -0.279 N 
ATOM      8  C   LIG    1       -1.256   1.647  -0.582  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1       -2.296   2.568  -0.781  0.00  0.00    +0.094 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        2.300   0.737  -0.982  0.00  0.00    +0.252 C 
ATOM     11  N   LIG    1        3.188   0.401   0.035  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.896   0.481   1.470  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        4.132   0.897   2.291  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        5.320   0.051   2.099  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        5.351  -0.676   2.812  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        5.347  -0.589   0.772  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        4.591   0.182  -0.322  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        2.682   0.944  -2.132  0.00  0.00    -0.270 OA
ENDBRANCH   5  10
BRANCH   7  19
ATOM     19  C   LIG    1       -2.233  -0.089   0.939  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -1.953  -0.569   2.225  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -2.978  -1.104   3.007  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.278  -1.163   2.509  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.558  -0.689   1.228  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.539  -0.149   0.441  0.00  0.00    +0.026 A 
ENDBRANCH   7  19
BRANCH   1  26
ATOM     25  C   LIG    1       -2.675   5.676  -2.569  0.00  0.00    +0.279 C 
ATOM     26  O   LIG    1       -3.038   4.565  -1.755  0.00  0.00    -0.480 OA
ENDBRANCH   1  26
BRANCH   6  27
ATOM     27  O   LIG    1        0.471  -1.281   0.445  0.00  0.00    -0.438 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -0.184  -2.429   0.047  0.00  0.00    +0.136 A 
ATOM     29  C   LIG    1       -0.533  -2.748  -1.278  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1       -0.201  -1.877  -2.456  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1       -1.222  -3.953  -1.521  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1       -1.510  -4.837  -0.481  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -1.103  -4.528   0.807  0.00  0.00    +0.127 A 
ATOM     34  F   LIG    1       -1.359  -5.384   1.805  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1       -0.435  -3.342   1.078  0.00  0.00    +0.085 A 
ENDBRANCH  27  28
ENDBRANCH   6  27
TORSDOF 5