REMARK  Name = BDB012659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.861   0.144   0.113  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1       -1.063   0.445   1.068  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1  11
ATOM      3  C   LIG    1        3.082  -1.048  -2.276  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1        2.241  -0.622  -1.182  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1        2.651  -0.312   0.088  0.00  0.00    +0.073 A 
ATOM      6  C   LIG    1        1.482   0.032   0.765  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1        1.568   0.411   2.123  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1        2.821   0.429   2.749  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        3.963   0.077   2.040  0.00  0.00    +0.125 A 
ATOM     10  F   LIG    1        5.149   0.102   2.662  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        0.433  -0.111  -0.198  0.00  0.00    +0.153 A 
ATOM     12  C   LIG    1        3.913  -0.301   0.699  0.00  0.00    +0.066 A 
ATOM     13  N   LIG    1        0.917  -0.513  -1.375  0.00  0.00    -0.155 NA
ENDBRANCH   1  11
BRANCH   1  14
ATOM     14  C   LIG    1       -2.050   0.076  -0.649  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1       -3.308   0.396  -0.095  0.00  0.00    +0.083 A 
ATOM     16  C   LIG    1       -4.471   0.319  -0.877  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1       -4.360  -0.074  -2.193  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1       -3.189  -0.389  -2.769  0.00  0.00    -0.261 NA
ATOM     19  C   LIG    1       -2.075  -0.307  -1.992  0.00  0.00    +0.134 A 
BRANCH  15  20
ATOM     20  C   LIG    1       -3.523   0.828   1.313  0.00  0.00    +0.339 C 
ATOM     21  O   LIG    1       -4.599   1.107   1.810  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -2.401   0.900   2.057  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1       -2.747   1.195   2.930  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  15  20
ENDBRANCH   1  14
TORSDOF 4