REMARK  Name = BDB058049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.059   0.566   0.947  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -1.180   0.517  -0.144  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.178  -0.451  -0.197  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -0.062  -1.374   0.842  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -0.944  -1.351   1.925  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -1.938  -0.372   1.982  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -6.109   0.558  -2.620  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1       -5.497   1.156  -1.531  0.00  0.00    +0.152 A 
ATOM      9  O   LIG    1       -4.341   0.746  -0.903  0.00  0.00    -0.451 OA
ATOM     10  C   LIG    1       -4.126   1.638   0.141  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1       -5.191   2.671   0.179  0.00  0.00    +0.231 C 
ATOM     12  O   LIG    1       -5.328   3.598   0.945  0.00  0.00    -0.283 OA
ATOM     13  C   LIG    1       -3.108   1.585   1.012  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1       -6.048   2.295  -0.937  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1       -7.205   2.897  -1.395  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -7.831   2.314  -2.499  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -7.288   1.161  -3.103  0.00  0.00    +0.017 A 
BRANCH   7  21
ATOM     18  N   LIG    1       -4.444  -1.226  -2.846  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -4.135  -2.079  -3.297  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -3.983  -0.948  -1.990  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1       -5.594  -0.651  -3.312  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1       -6.182  -1.126  -4.279  0.00  0.00    -0.270 OA
ENDBRANCH   7  21
ENDBRANCH   1  13
BRANCH   4  23
ATOM     23  C   LIG    1        1.002  -2.396   0.793  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1        2.322  -1.969   0.908  0.00  0.00    -0.297 N 
ATOM     25  C   LIG    1        2.720  -0.639   1.386  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1        3.940  -0.732   2.298  0.00  0.00    +0.030 C 
ATOM     27  C   LIG    1        5.144  -1.348   1.564  0.00  0.00    +0.060 C 
ATOM     28  C   LIG    1        4.726  -2.294   0.425  0.00  0.00    +0.030 C 
ATOM     29  C   LIG    1        3.381  -2.953   0.702  0.00  0.00    +0.109 C 
ATOM     30  O   LIG    1        0.664  -3.568   0.639  0.00  0.00    -0.270 OA
BRANCH  27  31
ATOM     31  C   LIG    1        6.085  -0.286   1.028  0.00  0.00    +0.132 A 
ATOM     32  N   LIG    1        7.406  -0.481   1.204  0.00  0.00    -0.240 NA
ATOM     33  C   LIG    1        8.227   0.456   0.690  0.00  0.00    +0.114 A 
ATOM     34  C   LIG    1        7.785   1.563   0.007  0.00  0.00    +0.039 A 
ATOM     35  C   LIG    1        6.420   1.668  -0.126  0.00  0.00    +0.114 A 
ATOM     36  N   LIG    1        5.552   0.765   0.370  0.00  0.00    -0.240 NA
ENDBRANCH  27  31
ENDBRANCH   4  23
TORSDOF 4