REMARK  Name = BDB045731
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.401   3.442   1.527  0.00  0.00    -0.284 OA
ATOM      2  C   LIG    1        1.511   2.365   0.960  0.00  0.00    +0.228 C 
ATOM      3  C   LIG    1        2.868   1.757   0.670  0.00  0.00    +0.233 C 
ATOM      4  O   LIG    1        3.890   2.416   0.803  0.00  0.00    -0.283 OA
ATOM      5  C   LIG    1        2.903   0.351   0.232  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        1.704  -0.325  -0.048  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1        1.802  -1.689  -0.386  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        3.042  -2.332  -0.481  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        4.215  -1.630  -0.232  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        0.382   0.367   0.027  0.00  0.00    +0.043 C 
ATOM     11  C   LIG    1        4.149  -0.289   0.131  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        0.325   1.619   0.513  0.00  0.00    +0.078 C 
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1       -0.711  -0.323  -0.476  0.00  0.00    -0.314 N 
ATOM     14  H   LIG    1       -0.526  -0.840  -1.331  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.080  -0.158  -0.192  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -3.020  -0.384  -1.208  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1       -4.387  -0.210  -0.975  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -4.835   0.192   0.280  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -3.916   0.418   1.301  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -2.549   0.245   1.065  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH  10  13
TORSDOF 2