REMARK  Name = BDB012952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.188  -1.171  -1.408  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1       -0.673  -0.935  -1.472  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -0.535   0.500  -1.719  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1        0.503   1.324  -1.312  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        0.339   2.539  -1.219  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -1.815   1.082  -2.096  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1       -2.719  -0.111  -2.375  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        1.764   0.707  -0.991  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1        2.340  -0.341  -1.658  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1        1.986  -0.825  -2.475  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1        3.515  -0.740  -1.146  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1        3.744   0.149  -0.180  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1        2.699   1.077  -0.043  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1        5.021   0.135   0.699  0.00  0.00    +0.040 C 
ATOM     15  C   LIG    1        5.952   1.320   0.667  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1        6.369   0.026   0.034  0.00  0.00    +0.010 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  19
ATOM     17  O   LIG    1       -4.646  -2.133  -0.415  0.00  0.00    -0.276 OA
ATOM     18  C   LIG    1       -3.947  -1.432   0.305  0.00  0.00    +0.216 C 
ATOM     19  N   LIG    1       -2.708  -0.963  -0.062  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1       -2.266  -0.266   0.523  0.00  0.00    +0.149 HD
BRANCH  18  21
ATOM     21  C   LIG    1       -4.444  -1.034   1.651  0.00  0.00    +0.075 C 
ATOM     22  C   LIG    1       -3.529  -0.732   2.815  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1       -4.301   0.380   2.165  0.00  0.00    +0.013 C 
ENDBRANCH  18  21
ENDBRANCH   1  19
TORSDOF 4