REMARK  Name = BDB012974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.897  -0.363   1.775  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.083  -0.235   0.808  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.469  -0.531   1.135  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.224  -0.416  -0.193  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.418   0.664  -0.917  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.017   0.342  -0.523  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.589  -0.675   2.926  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.352   0.220   0.676  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        4.455   0.284   2.007  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        3.206   0.050   2.439  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        3.029   0.017   3.439  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        2.279  -0.116   1.442  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        3.016  -0.038   0.276  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        5.882  -0.856  -0.995  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        5.569   0.404  -0.186  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        5.424   1.614  -1.112  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -3.624  -0.081  -0.043  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1       -4.044  -0.113   0.882  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -4.479  -0.082  -1.117  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -4.128  -0.249  -2.277  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -5.910   0.148  -0.812  0.00  0.00    +0.111 C 
ATOM     22  C   LIG    1       -6.526  -0.056   0.539  0.00  0.00    +0.179 C 
ATOM     23  F   LIG    1       -5.712  -0.460   1.582  0.00  0.00    -0.245 F 
ATOM     24  C   LIG    1       -6.800  -1.048  -0.542  0.00  0.00    +0.053 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4