REMARK  Name = BDB023951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.899   4.328   0.128  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.509   4.006   0.612  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.002   2.749   0.313  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.602   2.505   0.713  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -2.304   1.046   0.705  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -1.141   0.342   1.104  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.287  -0.975   0.893  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.526  -1.120   0.379  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -3.165   0.076   0.232  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.517   0.363  -0.304  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.582   1.852  -0.711  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.873   4.841   1.257  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.091   0.888   1.666  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.338   0.773   0.991  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        2.485   1.345   1.571  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1        3.716   1.245   0.905  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        3.812   0.587  -0.319  0.00  0.00    +0.122 A 
ATOM     18  N   LIG    1        2.724   0.045  -0.897  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        2.384   2.013   2.803  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        1.162   2.115   3.464  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.539   0.138  -0.243  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        0.020   1.556   2.898  0.00  0.00    +0.011 A 
BRANCH  17  23
ATOM     23  N   LIG    1        5.059   0.488  -0.944  0.00  0.00    -0.310 N 
ATOM     24  C   LIG    1        6.016  -0.526  -0.414  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1        6.951   0.098   0.627  0.00  0.00    +0.031 C 
ATOM     26  C   LIG    1        5.342  -1.782   0.169  0.00  0.00    +0.031 C 
ATOM     27  C   LIG    1        6.834  -0.912  -1.669  0.00  0.00    +0.027 C 
ATOM     28  C   LIG    1        5.811  -0.834  -2.786  0.00  0.00    +0.021 C 
ATOM     29  C   LIG    1        5.013   0.409  -2.416  0.00  0.00    +0.107 C 
ENDBRANCH  17  23
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -2.976  -2.466   0.045  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -3.034  -2.703  -1.470  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -4.106  -3.721  -1.833  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -4.148  -4.749  -0.851  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -4.635  -4.306   0.416  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -4.286  -2.854   0.730  0.00  0.00    +0.055 C 
ENDBRANCH   8  30
TORSDOF 3