REMARK  Name = BDB056761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.003  -1.346   0.220  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        1.748  -1.306   0.845  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        0.618  -1.328   0.018  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.708  -1.398  -1.368  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1       -0.536  -1.400  -1.943  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1       -1.397  -1.314  -0.945  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1        1.970  -1.460  -1.978  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1       -0.735  -1.291   0.266  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -1.347  -1.223   1.571  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1        3.115  -1.438  -1.171  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1        4.090  -1.345   1.073  0.00  0.00    -0.452 OA
BRANCH  11  13
ATOM     12  C   LIG    1        5.248   0.722   0.501  0.00  0.00    +0.162 A 
ATOM     13  C   LIG    1        5.218  -0.674   0.651  0.00  0.00    +0.170 A 
ATOM     14  C   LIG    1        6.364  -1.446   0.435  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1        7.545  -0.832   0.026  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        7.582   0.550  -0.149  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        6.442   1.326   0.094  0.00  0.00    +0.049 A 
BRANCH  12  19
ATOM     18  C   LIG    1        4.006   2.747   0.361  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        4.098   1.401   0.806  0.00  0.00    -0.491 OA
ENDBRANCH  12  19
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1       -2.885  -1.283  -1.092  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.364  -0.145  -0.374  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.718   0.049  -0.346  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -5.131   1.139   0.425  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -6.490   1.451   0.545  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -7.441   0.666  -0.117  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -7.031  -0.420  -0.890  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.672  -0.728  -1.005  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -6.967   2.597   1.355  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -8.127   2.937   1.495  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -5.967   3.264   1.958  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -6.423   3.984   2.443  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 8