REMARK  Name = BDB017131
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.518  -0.323   0.672  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -4.390  -1.076  -0.157  0.00  0.00    -0.006 A 
ATOM      3  C   LIG    1       -3.849  -1.630  -1.342  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -4.671  -2.370  -2.208  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -6.015  -2.588  -1.913  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -6.555  -2.079  -0.741  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.488  -1.450  -1.645  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -1.630  -0.739  -0.794  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -5.753  -1.337   0.129  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -2.153  -0.178   0.368  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -5.482   2.071   2.825  0.00  0.00    +0.128 C 
ATOM     12  N   LIG    1       -5.040   1.226   1.746  0.00  0.00    -0.314 N 
ATOM     13  H   LIG    1       -5.368   1.429   0.809  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1       -3.971   0.372   1.903  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -3.350   0.224   2.948  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   8  16
ATOM     16  C   LIG    1       -0.186  -0.620  -1.183  0.00  0.00    +0.167 C 
ATOM     17  O   LIG    1        0.175  -1.143  -2.237  0.00  0.00    -0.292 OA
BRANCH  16  18
ATOM     18  C   LIG    1        0.785   0.139  -0.281  0.00  0.00    +0.074 C 
ATOM     19  C   LIG    1        2.245  -0.297  -0.539  0.00  0.00    +0.096 C 
ATOM     20  N   LIG    1        3.267   0.659  -0.050  0.00  0.00    -0.299 NA
ATOM     21  C   LIG    1        2.748   1.526   1.007  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1        1.599   2.393   0.472  0.00  0.00    +0.016 C 
ATOM     23  C   LIG    1        0.664   1.647  -0.482  0.00  0.00    +0.014 C 
BRANCH  20  24
ATOM     24  C   LIG    1        4.525  -0.014   0.301  0.00  0.00    +0.057 C 
ATOM     25  C   LIG    1        5.133  -0.823  -0.853  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1        6.568  -1.084  -0.409  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1        6.939   0.082   0.503  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1        5.682   0.940   0.627  0.00  0.00    +0.019 C 
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   8  16
TORSDOF 4