REMARK  Name = BDB016482
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.402  -3.716   1.215  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -1.236  -2.670   0.548  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.713  -1.482   0.052  0.00  0.00    +0.125 A 
ATOM      4  N   LIG    1       -1.497  -0.551  -0.517  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -2.815  -0.807  -0.595  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -3.409  -1.935  -0.178  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -2.598  -2.840   0.394  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -3.648   0.197  -1.262  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.566   1.046  -0.596  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -5.332   1.948  -1.371  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.188   2.035  -2.756  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.274   1.220  -3.405  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.516   0.314  -2.665  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -4.813   1.075   0.912  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -3.558   1.086   1.788  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -5.792  -0.018   1.348  0.00  0.00    +0.012 C 
ENDBRANCH   9  14
ENDBRANCH   5   8
BRANCH   3  17
ATOM     17  N   LIG    1        0.670  -1.236   0.183  0.00  0.00    -0.328 N 
ATOM     18  H   LIG    1        1.177  -2.019  -0.219  0.00  0.00    +0.147 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.116   0.043  -0.370  0.00  0.00    +0.106 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.608   0.223  -0.108  0.00  0.00    +0.007 C 
ATOM     21  C   LIG    1        3.271   1.444  -0.792  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1        4.519   0.559  -1.066  0.00  0.00    +0.021 C 
ATOM     23  C   LIG    1        3.581  -0.669  -0.919  0.00  0.00    +0.013 C 
BRANCH  22  24
ATOM     24  C   LIG    1        5.772   0.735  -0.101  0.00  0.00    -0.026 A 
ATOM     25  C   LIG    1        6.847   1.561  -0.452  0.00  0.00    +0.114 A 
ATOM     26  N   LIG    1        7.957   1.785   0.292  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1        8.023   1.154   1.479  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        7.032   0.314   1.948  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        5.906   0.110   1.150  0.00  0.00    +0.007 A 
ENDBRANCH  22  24
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 6