REMARK  Name = BDB056880
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.100  -0.141   0.336  0.00  0.00    +0.098 A 
ATOM      2  C   LIG    1       -0.782   1.052  -0.006  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -0.291   2.449  -0.132  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1       -1.350   3.321  -0.683  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -2.745   3.031  -0.286  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -3.180   1.586  -0.614  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -1.075   4.581  -1.200  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1       -1.953   5.408  -1.448  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1        0.371   4.913  -1.473  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -2.086   0.664  -0.224  0.00  0.00    +0.046 A 
ATOM     11  N   LIG    1       -2.130  -0.685  -0.044  0.00  0.00    -0.264 N 
ATOM     12  N   LIG    1       -0.934  -1.192   0.320  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1  19
ATOM     13  C   LIG    1        4.023  -0.481   1.402  0.00  0.00    -0.040 A 
ATOM     14  C   LIG    1        3.591  -1.042   0.166  0.00  0.00    -0.011 A 
ATOM     15  C   LIG    1        2.222  -0.954  -0.194  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        1.850  -1.530  -1.423  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        2.689  -2.141  -2.293  0.00  0.00    -0.263 NA
ATOM     18  C   LIG    1        3.977  -2.207  -1.924  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1        1.311  -0.296   0.673  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        1.756   0.254   1.880  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        4.464  -1.687  -0.735  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        3.096   0.163   2.239  0.00  0.00    +0.005 A 
BRANCH  13  24
ATOM     23  C   LIG    1        6.290   0.610   1.281  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1        5.465  -0.526   1.867  0.00  0.00    +0.032 C 
ENDBRANCH  13  24
ENDBRANCH   1  19
BRANCH  11  25
ATOM     25  C   LIG    1       -3.276  -1.572  -0.199  0.00  0.00    +0.112 C 
ATOM     26  C   LIG    1       -3.778  -2.087   1.152  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1       -4.951  -3.031   0.942  0.00  0.00    +0.162 C 
ATOM     28  O   LIG    1       -4.594  -4.099   0.067  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1       -4.211  -3.647  -1.231  0.00  0.00    +0.162 C 
ATOM     30  C   LIG    1       -2.992  -2.741  -1.149  0.00  0.00    +0.055 C 
ENDBRANCH  11  25
TORSDOF 3