REMARK  Name = BDB012937
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.021  -0.928   1.246  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.043  -0.664   0.396  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.397  -0.983   0.821  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.288  -0.511  -0.331  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.507   0.689  -0.870  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.058   0.233  -0.753  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.822  -1.402   2.363  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.500  -0.072   0.570  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        4.100  -0.426  -0.658  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        2.822  -0.799  -0.488  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        2.328  -1.180  -1.286  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        2.350  -0.622   0.781  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        3.446  -0.195   1.505  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.245   1.660   0.062  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        5.908   0.382   0.832  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        6.926  -0.718   0.524  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -3.638  -0.167   0.069  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -3.792   0.213   0.996  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -4.637  -0.030  -0.873  0.00  0.00    +0.233 C 
ATOM     20  O   LIG    1       -4.500  -0.289  -2.061  0.00  0.00    -0.274 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -5.940   0.474  -0.347  0.00  0.00    +0.133 C 
ATOM     22  C   LIG    1       -7.195  -0.334  -0.646  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -6.646  -0.316   0.748  0.00  0.00    +0.033 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -6.065   1.909  -0.329  0.00  0.00    +0.079 C 
ATOM     25  N   LIG    1       -6.166   3.063  -0.273  0.00  0.00    -0.195 NA
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 5