REMARK  Name = BDB001814
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.438  -1.526  -0.058  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1        1.461  -0.559  -0.099  0.00  0.00    -0.162 N 
ATOM      3  C   LIG    1        1.418   0.802  -0.400  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1        2.600   1.332  -0.214  0.00  0.00    -0.190 NA
ATOM      5  C   LIG    1        3.385   0.263   0.133  0.00  0.00    +0.219 A 
ATOM      6  N   LIG    1        2.747  -0.908   0.182  0.00  0.00    -0.137 NA
ATOM      7  O   LIG    1        0.752  -2.716  -0.013  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -3.767  -0.735  -0.142  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -2.939  -0.008   0.741  0.00  0.00    +0.162 A 
ATOM     10  C   LIG    1       -1.565  -0.270   0.780  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -1.012  -1.226  -0.078  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1       -1.833  -1.962  -0.936  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -3.206  -1.712  -0.972  0.00  0.00    +0.050 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -5.986  -1.208  -0.893  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -5.101  -0.412  -0.119  0.00  0.00    -0.491 OA
ENDBRANCH   8  15
BRANCH   9  16
ATOM     16  O   LIG    1       -3.570   0.928   1.523  0.00  0.00    -0.491 OA
ATOM     17  C   LIG    1       -2.770   1.718   2.391  0.00  0.00    +0.277 C 
ENDBRANCH   9  16
ENDBRANCH   1  11
BRANCH   5  18
ATOM     18  C   LIG    1        4.911   0.415   0.435  0.00  0.00    +0.173 A 
ATOM     19  O   LIG    1        5.753  -0.605   0.783  0.00  0.00    -0.460 OA
ATOM     20  C   LIG    1        6.987  -0.067   0.960  0.00  0.00    +0.196 A 
ATOM     21  C   LIG    1        6.959   1.289   0.733  0.00  0.00    +0.042 A 
ATOM     22  C   LIG    1        5.619   1.601   0.395  0.00  0.00    +0.053 A 
ENDBRANCH   5  18
BRANCH   3  23
ATOM     23  N   LIG    1        0.342   1.488  -0.844  0.00  0.00    -0.327 N 
ATOM     24  H   LIG    1        0.560   2.428  -1.176  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -0.331   1.040  -1.461  0.00  0.00    +0.145 HD
ENDBRANCH   3  23
TORSDOF 5