REMARK  Name = BDB001764
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.460  -1.333   1.293  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1       -0.927  -1.310   1.058  0.00  0.00    -0.162 N 
ATOM      3  C   LIG    1       -1.923  -2.068   1.666  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1       -3.095  -1.683   1.230  0.00  0.00    -0.190 NA
ATOM      5  C   LIG    1       -2.799  -0.691   0.336  0.00  0.00    +0.219 A 
ATOM      6  N   LIG    1       -1.493  -0.428   0.192  0.00  0.00    -0.137 NA
ATOM      7  O   LIG    1        0.862  -2.030   2.228  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        3.477   0.866  -0.849  0.00  0.00    +0.120 A 
ATOM      9  C   LIG    1        2.320   0.446  -1.511  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.324  -0.267  -0.836  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        1.473  -0.558   0.522  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1        2.642  -0.152   1.183  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        3.636   0.561   0.502  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1        5.559   2.002  -1.004  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        4.364   1.552  -1.630  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   5  16
ATOM     16  C   LIG    1       -3.906   0.080  -0.456  0.00  0.00    +0.173 A 
ATOM     17  O   LIG    1       -5.250  -0.150  -0.346  0.00  0.00    -0.460 OA
ATOM     18  C   LIG    1       -5.877   0.712  -1.186  0.00  0.00    +0.196 A 
ATOM     19  C   LIG    1       -4.961   1.500  -1.841  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1       -3.689   1.093  -1.371  0.00  0.00    +0.053 A 
ENDBRANCH   5  16
BRANCH   3  21
ATOM     21  N   LIG    1       -1.690  -3.051   2.558  0.00  0.00    -0.327 N 
ATOM     22  H   LIG    1       -0.780  -3.091   3.022  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -2.469  -3.344   3.139  0.00  0.00    +0.145 HD
ENDBRANCH   3  21
TORSDOF 4