REMARK  Name = BDB060427
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.051  -1.351   0.997  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -3.969  -0.478  -0.102  0.00  0.00    -0.237 N 
ATOM      3  C   LIG    1       -2.818   0.281  -0.515  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -2.984   1.394  -1.364  0.00  0.00    -0.026 A 
ATOM      5  C   LIG    1       -1.879   2.177  -1.733  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.594   1.839  -1.316  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -0.392   0.708  -0.534  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1       -4.343   1.790  -1.872  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -5.182   0.542  -2.054  0.00  0.00    +0.024 C 
ATOM     10  C   LIG    1       -1.505  -0.061  -0.150  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -5.258  -0.199  -0.733  0.00  0.00    +0.117 C 
ATOM     12  O   LIG    1       -5.059  -2.006   1.255  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   7  13
ATOM     13  N   LIG    1        0.875   0.273  -0.089  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1        0.875  -0.568   0.475  0.00  0.00    +0.155 HD
ATOM     15  C   LIG    1        2.110   0.833  -0.372  0.00  0.00    +0.221 C 
ATOM     16  O   LIG    1        2.318   1.809  -1.085  0.00  0.00    -0.275 OA
BRANCH  15  17
ATOM     17  C   LIG    1        3.253   0.110   0.343  0.00  0.00    +0.093 C 
ATOM     18  C   LIG    1        4.621   0.474  -0.265  0.00  0.00    +0.113 C 
ATOM     19  C   LIG    1        5.764  -0.232   0.478  0.00  0.00    +0.042 C 
ATOM     20  C   LIG    1        5.600  -0.229   1.969  0.00  0.00    -0.030 C 
ATOM     21  C   LIG    1        4.456   0.107   2.581  0.00  0.00    -0.030 C 
ATOM     22  C   LIG    1        3.207   0.477   1.837  0.00  0.00    +0.040 C 
BRANCH  18  23
ATOM     23  C   LIG    1        4.742   0.127  -1.731  0.00  0.00    +0.309 C 
ATOM     24  O   LIG    1        5.573   0.583  -2.501  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1        3.894  -0.831  -2.150  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1        4.095  -0.909  -3.107  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  18  23
ENDBRANCH  15  17
ENDBRANCH   7  13
BRANCH   1  28
ATOM     27  C   LIG    1       -3.077  -2.216   2.950  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1       -2.952  -1.375   1.803  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
TORSDOF 5