REMARK  Name = BDB023979
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.737   1.782   0.526  0.00  0.00    +0.101 A 
ATOM      2  C   LIG    1       -1.193   0.456   0.261  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -0.599  -0.880   0.562  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1       -1.543  -1.988   0.274  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -2.988  -1.694   0.220  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -3.320  -0.505  -0.702  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -1.025  -3.270   0.416  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1        0.161  -3.486   0.668  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -1.976  -4.427   0.239  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -2.431   0.619  -0.332  0.00  0.00    +0.046 A 
ATOM     11  N   LIG    1       -2.635   1.957  -0.465  0.00  0.00    -0.264 N 
ATOM     12  N   LIG    1       -1.646   2.678   0.092  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1  20
ATOM     13  C   LIG    1        3.433   0.190   0.848  0.00  0.00    +0.090 A 
ATOM     14  N   LIG    1        2.102   0.380   0.552  0.00  0.00    -0.227 NA
ATOM     15  C   LIG    1        1.735   1.488   1.167  0.00  0.00    +0.148 A 
ATOM     16  N   LIG    1        2.815   2.030   1.864  0.00  0.00    -0.305 N 
ATOM     17  C   LIG    1        2.756   3.197   2.614  0.00  0.00    +0.093 A 
ATOM     18  C   LIG    1        1.597   3.866   2.678  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1        0.451   3.342   1.956  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        0.474   2.196   1.220  0.00  0.00    +0.045 A 
ATOM     21  C   LIG    1        3.890   1.203   1.659  0.00  0.00    +0.121 A 
BRANCH  13  25
ATOM     22  C   LIG    1        5.662  -3.172  -0.576  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        4.270  -3.215  -0.498  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        3.547  -2.111  -0.034  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        4.205  -0.944   0.367  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.604  -0.906   0.286  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        6.328  -2.012  -0.182  0.00  0.00    +0.046 A 
BRANCH  22  29
ATOM     28  C   LIG    1        7.663  -4.315  -1.158  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        6.246  -4.315  -1.049  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH  13  25
ENDBRANCH   1  20
BRANCH  11  30
ATOM     30  C   LIG    1       -3.750   2.675  -1.071  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -5.022   2.612  -0.214  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -6.275   2.682  -1.076  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -6.071   3.591  -2.149  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -5.127   3.126  -3.116  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -4.018   2.264  -2.518  0.00  0.00    +0.055 C 
ENDBRANCH  11  30
TORSDOF 4