REMARK  Name = BDB017670
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.001  -0.251   1.311  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1       -2.704  -1.311   0.726  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -4.033  -1.137   0.323  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -4.693   0.091   0.480  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -6.095   0.210   0.012  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1       -6.736   1.447   0.073  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -6.096   2.232  -0.013  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -8.000   1.665  -0.620  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -8.886   0.435  -0.458  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -8.158  -0.825  -0.938  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -6.724  -0.877  -0.479  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -6.024  -2.181  -0.617  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -6.584  -3.173  -1.075  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -3.992   1.137   1.096  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1       -4.716  -2.225  -0.230  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -4.258  -3.120  -0.334  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -2.664   0.968   1.504  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1       -0.570  -0.436   1.773  0.00  0.00    +0.119 C 
BRANCH  18  22
ATOM     19  N   LIG    1        3.039   0.817   0.019  0.00  0.00    -0.313 N 
ATOM     20  C   LIG    1        1.978  -0.013  -0.572  0.00  0.00    +0.122 C 
ATOM     21  C   LIG    1        0.587   0.529  -0.169  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        0.337   0.615   1.291  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        1.607   0.579   2.049  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        2.771   1.338   1.370  0.00  0.00    +0.122 C 
BRANCH  19  28
ATOM     25  C   LIG    1        6.945  -0.274  -1.008  0.00  0.00    -0.004 A 
ATOM     26  C   LIG    1        5.819  -1.003  -1.362  0.00  0.00    +0.118 A 
ATOM     27  N   LIG    1        4.549  -0.664  -1.035  0.00  0.00    -0.240 NA
ATOM     28  C   LIG    1        4.342   0.457  -0.309  0.00  0.00    +0.121 A 
ATOM     29  C   LIG    1        5.421   1.261   0.058  0.00  0.00    +0.044 A 
ATOM     30  C   LIG    1        6.723   0.898  -0.291  0.00  0.00    +0.011 A 
BRANCH  25  31
ATOM     31  C   LIG    1        8.310  -0.704  -1.460  0.00  0.00    +0.196 C 
BRANCH  31  33
ATOM     32  C   LIG    1       10.603  -0.690  -0.920  0.00  0.00    +0.194 C 
ATOM     33  O   LIG    1        9.297  -0.311  -0.507  0.00  0.00    -0.378 OA
ENDBRANCH  31  33
ENDBRANCH  25  31
ENDBRANCH  19  28
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 5