REMARK  Name = BDB014864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.794   0.784   0.316  0.00  0.00    -0.257 N 
ATOM      2  C   LIG    1        0.931   1.825   0.176  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1        1.233   3.242  -0.132  0.00  0.00    +0.074 C 
ATOM      4  C   LIG    1       -0.059   3.923  -0.633  0.00  0.00    +0.114 C 
ATOM      5  N   LIG    1       -1.251   3.567   0.171  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -1.571   2.134   0.312  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.301   4.445   0.411  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1       -3.405   4.062   0.801  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -2.044   5.913   0.188  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -0.331   1.318   0.396  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -0.137  -0.060   0.678  0.00  0.00    +0.150 A 
ATOM     12  N   LIG    1        1.167  -0.361   0.646  0.00  0.00    -0.155 NA
ENDROOT
BRANCH  11  13
ATOM     13  N   LIG    1       -1.175  -0.896   0.927  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -2.103  -0.493   0.940  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -1.221  -2.280   1.216  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1       -2.480  -2.894   1.355  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -2.609  -4.264   1.635  0.00  0.00    -0.049 A 
ATOM     18  C   LIG    1       -3.967  -4.892   1.747  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -1.456  -5.044   1.750  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1       -0.202  -4.457   1.611  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -0.088  -3.088   1.347  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH  11  13
BRANCH   1  22
ATOM     22  C   LIG    1        3.239   0.795   0.225  0.00  0.00    +0.239 C 
BRANCH  22  25
ATOM     23  N   LIG    1        3.879  -0.359  -1.897  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1        4.190  -0.215  -2.851  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        3.715   0.808  -1.208  0.00  0.00    +0.235 C 
ATOM     26  O   LIG    1        4.002   1.866  -1.776  0.00  0.00    -0.274 OA
BRANCH  23  28
ATOM     27  C   LIG    1        2.088  -1.995  -2.266  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1        3.393  -1.685  -1.554  0.00  0.00    +0.101 C 
ENDBRANCH  23  28
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 5