REMARK  Name = BDB013878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.101  -0.573   1.085  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.033   0.440   0.699  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.386   1.601   0.439  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.302   0.036   0.634  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.845  -1.277   0.913  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.269  -2.268   1.736  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.933  -3.520   1.877  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -3.133  -3.808   1.239  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.707  -2.846   0.436  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.013  -2.199   2.574  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -3.073  -1.611   0.280  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        0.839  -0.955   2.527  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.571  -0.653   0.850  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.404   0.076   0.945  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.386   1.036   0.608  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.591  -1.874   0.966  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.820   0.221   0.587  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  N   LIG    1        4.954   1.249   1.641  0.00  0.00    -0.320 NA
ATOM     19  H   LIG    1        4.075   1.758   1.728  0.00  0.00    +0.119 HD
ATOM     20  H   LIG    1        5.080   0.781   2.539  0.00  0.00    +0.119 HD
ENDBRANCH  17  18
BRANCH  17  22
ATOM     21  C   LIG    1        6.642  -1.248   1.697  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1        6.107  -0.602   0.423  0.00  0.00    +0.024 C 
ENDBRANCH  17  22
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  23
ATOM     23  C   LIG    1       -2.241   1.119   0.308  0.00  0.00    +0.153 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.436   1.583  -1.139  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -1.925   0.970  -2.334  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -2.229   1.609  -3.567  0.00  0.00    +0.072 A 
ATOM     27  C   LIG    1       -1.764   1.085  -4.765  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -0.998  -0.075  -4.820  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -0.691  -0.732  -3.644  0.00  0.00    +0.001 A 
ATOM     30  N   LIG    1       -2.965   2.719  -3.668  0.00  0.00    -0.251 NA
ATOM     31  C   LIG    1       -3.448   3.265  -2.537  0.00  0.00    +0.157 A 
ATOM     32  C   LIG    1       -1.148  -0.219  -2.427  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1       -3.226   2.754  -1.270  0.00  0.00    +0.143 A 
BRANCH  33  34
ATOM     34  O   LIG    1       -3.734   3.292  -0.115  0.00  0.00    -0.493 OA
ATOM     35  C   LIG    1       -4.407   4.543  -0.214  0.00  0.00    +0.277 C 
ENDBRANCH  33  34
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7