REMARK  Name = BDB058058
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.302   1.363  -1.505  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1        1.659   1.621  -2.725  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.466   0.972  -3.058  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -0.110   0.073  -2.159  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        0.523  -0.203  -0.945  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        1.714   0.452  -0.615  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1        6.398  -0.619   1.575  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1        5.877   0.410   0.811  0.00  0.00    +0.152 A 
ATOM      9  O   LIG    1        4.662   0.425   0.166  0.00  0.00    -0.451 OA
ATOM     10  C   LIG    1        4.566   1.659  -0.460  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1        5.794   2.462  -0.222  0.00  0.00    +0.231 C 
ATOM     12  O   LIG    1        6.075   3.572  -0.615  0.00  0.00    -0.283 OA
ATOM     13  C   LIG    1        3.539   2.098  -1.201  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1        6.604   1.581   0.611  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1        7.862   1.785   1.146  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        8.399   0.756   1.920  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        7.675  -0.435   2.137  0.00  0.00    +0.017 A 
BRANCH   7  21
ATOM     18  N   LIG    1        6.311  -3.011   1.975  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        5.756  -3.857   2.018  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        7.274  -3.104   1.685  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1        5.609  -1.847   1.819  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1        4.387  -1.836   1.870  0.00  0.00    -0.270 OA
ENDBRANCH   7  21
ENDBRANCH   1  13
BRANCH   4  23
ATOM     23  C   LIG    1       -1.363  -0.616  -2.543  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1       -2.441  -0.599  -1.665  0.00  0.00    -0.295 N 
ATOM     25  C   LIG    1       -2.579   0.315  -0.523  0.00  0.00    +0.127 C 
ATOM     26  C   LIG    1       -4.041   0.713  -0.238  0.00  0.00    +0.124 C 
ATOM     27  N   LIG    1       -4.895  -0.471  -0.058  0.00  0.00    -0.327 N 
ATOM     28  C   LIG    1       -4.535  -1.683  -0.819  0.00  0.00    +0.124 C 
ATOM     29  C   LIG    1       -3.637  -1.360  -2.026  0.00  0.00    +0.127 C 
ATOM     30  O   LIG    1       -1.397  -1.176  -3.637  0.00  0.00    -0.270 OA
BRANCH  27  31
ATOM     31  C   LIG    1       -6.088  -0.408   0.647  0.00  0.00    +0.030 A 
ATOM     32  C   LIG    1       -6.728  -1.568   1.117  0.00  0.00    +0.023 A 
ATOM     33  C   LIG    1       -7.929  -1.517   1.835  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1       -8.528  -0.294   2.104  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -7.922   0.873   1.657  0.00  0.00    +0.002 A 
ATOM     36  C   LIG    1       -6.719   0.812   0.942  0.00  0.00    +0.023 A 
ENDBRANCH  27  31
ENDBRANCH   4  23
TORSDOF 4