REMARK  Name = BDB058351
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.569  -2.501   1.086  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -1.471  -2.443  -0.442  0.00  0.00    +0.170 C 
ATOM      3  O   LIG    1       -2.210  -1.353  -1.043  0.00  0.00    -0.487 OA
ATOM      4  C   LIG    1       -2.155  -0.108  -0.466  0.00  0.00    +0.144 A 
ATOM      5  C   LIG    1       -0.907   0.491  -0.234  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -0.779   1.773   0.310  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -1.950   2.466   0.608  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1       -3.213   1.912   0.332  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -4.443   2.688   0.708  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1       -5.521   2.442  -0.318  0.00  0.00    +0.101 C 
ATOM     11  C   LIG    1       -5.790   0.966  -0.455  0.00  0.00    +0.220 C 
ATOM     12  O   LIG    1       -6.946   0.571  -0.618  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -4.671   0.130  -0.478  0.00  0.00    -0.271 N 
ATOM     14  C   LIG    1       -4.900  -1.267  -0.803  0.00  0.00    +0.138 C 
ATOM     15  N   LIG    1        0.469   2.386   0.591  0.00  0.00    -0.299 N 
ATOM     16  H   LIG    1        0.506   3.326   0.182  0.00  0.00    +0.154 HD
ATOM     17  C   LIG    1        1.711   1.755   0.495  0.00  0.00    +0.130 A 
ATOM     18  N   LIG    1        2.727   2.417  -0.224  0.00  0.00    -0.199 N 
ATOM     19  C   LIG    1        3.984   1.831  -0.406  0.00  0.00    +0.177 A 
ATOM     20  N   LIG    1        4.276   0.579   0.061  0.00  0.00    -0.212 NA
ATOM     21  C   LIG    1        3.346  -0.042   0.743  0.00  0.00    +0.127 A 
ATOM     22  N   LIG    1        3.549  -1.346   1.187  0.00  0.00    -0.318 N 
ATOM     23  C   LIG    1        4.595  -1.493   2.207  0.00  0.00    +0.130 C 
ATOM     24  C   LIG    1        3.648  -2.401   0.152  0.00  0.00    +0.106 C 
ATOM     25  C   LIG    1        2.447  -2.427  -0.806  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1        1.111  -2.709  -0.107  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        4.721   2.749  -1.120  0.00  0.00    +0.116 A 
ATOM     28  C   LIG    1        3.861   3.834  -1.341  0.00  0.00    +0.156 A 
ATOM     29  N   LIG    1        2.649   3.648  -0.815  0.00  0.00    -0.170 NA
ATOM     30  C   LIG    1        2.019   0.576   1.060  0.00  0.00    +0.087 A 
ATOM     31  C   LIG    1       -3.341   0.620  -0.222  0.00  0.00    +0.081 A 
ATOM     32  C   LIG    1       -0.070  -2.598  -1.082  0.00  0.00    +0.044 C 
ENDROOT
BRANCH  27  33
ATOM     33  C   LIG    1        6.069   2.609  -1.549  0.00  0.00    +0.104 C 
ATOM     34  N   LIG    1        7.167   2.535  -1.917  0.00  0.00    -0.191 NA
ENDBRANCH  27  33
TORSDOF 1