REMARK  Name = BDB057979
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.854  -0.521   1.798  0.00  0.00    -0.039 A 
ATOM      2  C   LIG    1        2.284   0.309   0.750  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1        1.363   0.754  -0.216  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1       -0.000   0.391  -0.178  0.00  0.00    -0.025 A 
ATOM      5  C   LIG    1       -0.967   0.911  -1.264  0.00  0.00    +0.031 C 
ATOM      6  C   LIG    1       -2.362   0.390  -1.018  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -2.766  -0.435   0.012  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -1.841  -0.910   1.020  0.00  0.00    +0.196 C 
ATOM      9  O   LIG    1       -2.179  -1.644   1.942  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1       -4.161  -0.674  -0.146  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -4.570   0.024  -1.284  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1       -5.894   0.014  -1.743  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1       -6.832  -0.733  -1.014  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1       -6.450  -1.440   0.128  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1       -5.121  -1.417   0.570  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -3.460   0.661  -1.794  0.00  0.00    -0.357 N 
ATOM     17  H   LIG    1       -3.467   1.242  -2.622  0.00  0.00    +0.166 HD
ATOM     18  C   LIG    1       -1.000   2.455  -1.230  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1       -0.493   0.429  -2.653  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1       -0.421  -0.451   0.876  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        0.500  -0.895   1.842  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   2  22
ATOM     22  C   LIG    1        3.658   0.742   0.623  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        4.533   0.282  -0.337  0.00  0.00    +0.116 A 
ATOM     24  N   LIG    1        5.709   0.939  -0.117  0.00  0.00    -0.274 N 
ATOM     25  C   LIG    1        6.940   0.785  -0.854  0.00  0.00    +0.172 C 
ATOM     26  N   LIG    1        5.654   1.812   0.905  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1        4.402   1.692   1.355  0.00  0.00    +0.142 A 
ENDBRANCH   2  22
BRANCH   1  29
ATOM     28  C   LIG    1        3.441  -2.373   2.416  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1        2.784  -1.073   2.856  0.00  0.00    +0.032 C 
ENDBRANCH   1  29
BRANCH  13  30
ATOM     30  C   LIG    1       -8.198  -0.769  -1.451  0.00  0.00    +0.099 C 
ATOM     31  N   LIG    1       -9.301  -0.793  -1.812  0.00  0.00    -0.191 NA
ENDBRANCH  13  30
TORSDOF 3