REMARK  Name = BDB014041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.539  -0.553  -0.750  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.719  -0.979   0.459  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.965  -0.444   1.552  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.277  -1.947   0.317  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -0.613  -2.693  -0.886  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        0.226  -2.916  -2.002  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -0.276  -3.648  -3.118  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.557  -4.179  -3.153  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.376  -3.996  -2.061  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        1.673  -2.527  -2.209  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -1.907  -3.274  -0.958  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.387  -1.744  -1.137  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        2.964   1.413  -1.267  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.373   0.581  -0.349  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.368   0.806   0.642  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        2.926   1.180  -2.476  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        3.759   2.605  -0.670  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        2.904   3.442   0.276  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.558   3.990  -1.543  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        4.221   3.470  -1.780  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        4.224   2.901  -2.635  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.052  -2.206   1.549  0.00  0.00    +0.114 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.276  -1.295   1.747  0.00  0.00    +0.024 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.934   0.142   2.148  0.00  0.00    +0.036 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.181   0.932   2.469  0.00  0.00    -0.047 A 
ATOM     26  C   LIG    1       -3.896   1.575   1.449  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -5.058   2.289   1.742  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.518   2.366   3.056  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.816   1.726   4.077  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.654   1.011   3.785  0.00  0.00    +0.003 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 7