REMARK  Name = BDB002704
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.488  -0.152   1.551  0.00  0.00    +0.189 A 
ATOM      2  N   LIG    1        0.968   0.174   2.783  0.00  0.00    -0.123 NA
ATOM      3  N   LIG    1       -0.285  -0.259   2.839  0.00  0.00    -0.065 NA
ATOM      4  N   LIG    1       -0.565  -0.839   1.659  0.00  0.00    -0.247 N 
ATOM      5  C   LIG    1        0.515  -0.814   0.827  0.00  0.00    +0.145 A 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        2.846   0.178   1.149  0.00  0.00    +0.361 C 
ATOM      7  O   LIG    1        3.645   0.775   1.862  0.00  0.00    -0.243 OA
BRANCH   6   8
ATOM      8  O   LIG    1        3.128  -0.256  -0.119  0.00  0.00    -0.460 OA
BRANCH   8  10
ATOM      9  C   LIG    1        4.496   1.413  -1.219  0.00  0.00    +0.048 C 
ATOM     10  C   LIG    1        4.451   0.030  -0.596  0.00  0.00    +0.229 C 
ENDBRANCH   8  10
ENDBRANCH   6   8
ENDBRANCH   1   6
BRANCH   4  11
ATOM     11  C   LIG    1       -1.867  -1.436   1.422  0.00  0.00    +0.180 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -2.654  -0.668   0.390  0.00  0.00    -0.026 A 
ATOM     13  C   LIG    1       -3.124   0.624   0.670  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -3.850   1.336  -0.286  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -4.117   0.765  -1.528  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -3.658  -0.519  -1.817  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -2.930  -1.234  -0.864  0.00  0.00    +0.005 A 
ENDBRANCH  11  12
ENDBRANCH   4  11
TORSDOF 5