REMARK  Name = BDB014869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.688   5.360  -1.685  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.453   4.600  -1.277  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.634   3.384  -0.630  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        0.596   2.713  -0.171  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1        0.332   1.292   0.175  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        1.220   0.242   0.525  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1        0.538  -0.880   0.776  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -0.760  -0.573   0.566  0.00  0.00    -0.259 N 
ATOM      9  C   LIG    1       -0.929   0.736   0.226  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -2.179   1.466  -0.090  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -1.907   2.982   0.009  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        0.664   5.055  -1.527  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -1.766  -1.631   0.762  0.00  0.00    +0.134 C 
ATOM     14  C   LIG    1       -2.434  -1.472   2.131  0.00  0.00    +0.038 C 
BRANCH  13  15
ATOM     15  C   LIG    1       -2.693  -1.760  -0.442  0.00  0.00    -0.023 A 
ATOM     16  C   LIG    1       -4.082  -1.572  -0.364  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1       -4.887  -1.704  -1.500  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.318  -2.029  -2.729  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -2.944  -2.227  -2.825  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -2.140  -2.097  -1.692  0.00  0.00    +0.006 A 
ENDBRANCH  13  15
ENDBRANCH   8  13
BRANCH   6  21
ATOM     21  N   LIG    1        2.563   0.427   0.580  0.00  0.00    -0.298 N 
ATOM     22  H   LIG    1        2.916   1.337   0.313  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.624  -0.447   0.913  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        3.445  -1.775   1.317  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1        4.535  -2.604   1.633  0.00  0.00    -0.049 A 
ATOM     26  C   LIG    1        4.300  -4.013   2.093  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        5.831  -2.085   1.567  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        6.033  -0.767   1.168  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        4.940   0.041   0.844  0.00  0.00    +0.023 A 
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 4