REMARK  Name = BDB017130
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.738  -0.448  -0.694  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -3.981  -0.250   0.689  0.00  0.00    -0.006 A 
ATOM      3  C   LIG    1       -2.907   0.213   1.487  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -3.105   0.440   2.859  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -4.342   0.201   3.457  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -5.398  -0.275   2.693  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.643   0.438   0.909  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -1.416   0.205  -0.452  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -5.220  -0.501   1.327  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -2.471  -0.236  -1.252  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -6.895  -0.252  -2.730  0.00  0.00    +0.128 C 
ATOM     12  N   LIG    1       -5.872  -0.031  -1.741  0.00  0.00    -0.314 N 
ATOM     13  H   LIG    1       -5.813   0.879  -1.300  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1       -4.796  -0.885  -1.633  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -4.651  -1.912  -2.284  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   8  16
ATOM     16  C   LIG    1       -0.088   0.431  -1.100  0.00  0.00    +0.167 C 
ATOM     17  O   LIG    1       -0.055   0.597  -2.318  0.00  0.00    -0.292 OA
BRANCH  16  18
ATOM     18  C   LIG    1        1.172   0.457  -0.242  0.00  0.00    +0.074 C 
ATOM     19  C   LIG    1        2.353  -0.207  -0.981  0.00  0.00    +0.095 C 
ATOM     20  N   LIG    1        3.685   0.193  -0.476  0.00  0.00    -0.301 NA
ATOM     21  C   LIG    1        3.641   0.639   0.914  0.00  0.00    +0.084 C 
ATOM     22  C   LIG    1        2.780   1.904   1.038  0.00  0.00    +0.016 C 
ATOM     23  C   LIG    1        1.538   1.888   0.142  0.00  0.00    +0.014 C 
BRANCH  20  24
ATOM     24  C   LIG    1        4.666  -0.868  -0.722  0.00  0.00    +0.088 C 
BRANCH  24  25
ATOM     25  C   LIG    1        6.066  -0.337  -0.616  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1        7.230  -1.296  -0.653  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        6.904  -0.567   0.618  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   8  16
TORSDOF 5