REMARK  Name = BDB056895
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.321  -0.143  -0.319  0.00  0.00    +0.098 A 
ATOM      2  C   LIG    1       -0.328   1.082  -0.019  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        0.219   2.454   0.162  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1       -0.833   3.371   0.644  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -2.209   3.155   0.145  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -2.736   1.728   0.411  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -0.385   4.590   1.139  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1        0.812   4.864   1.240  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -1.428   5.590   1.568  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -1.663   0.758   0.090  0.00  0.00    +0.046 A 
ATOM     11  N   LIG    1       -1.759  -0.585  -0.113  0.00  0.00    -0.264 N 
ATOM     12  N   LIG    1       -0.567  -1.146  -0.395  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1  19
ATOM     13  C   LIG    1        4.491  -0.711  -1.050  0.00  0.00    +0.128 A 
ATOM     14  C   LIG    1        3.898  -1.373   0.056  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        2.515  -1.208   0.312  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        1.999  -1.894   1.428  0.00  0.00    +0.120 A 
ATOM     17  N   LIG    1        2.713  -2.682   2.269  0.00  0.00    -0.263 NA
ATOM     18  C   LIG    1        4.020  -2.815   1.992  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1        1.746  -0.373  -0.541  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        2.354   0.267  -1.628  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1        4.643  -2.196   0.922  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1        3.715   0.100  -1.881  0.00  0.00    +0.047 A 
BRANCH  13  24
ATOM     23  C   LIG    1        6.471  -0.278  -2.326  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        5.838  -0.924  -1.229  0.00  0.00    -0.495 OA
ENDBRANCH  13  24
ENDBRANCH   1  19
BRANCH  11  25
ATOM     25  C   LIG    1       -2.956  -1.416  -0.062  0.00  0.00    +0.112 C 
ATOM     26  C   LIG    1       -3.390  -1.866  -1.458  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1       -4.622  -2.752  -1.355  0.00  0.00    +0.162 C 
ATOM     28  O   LIG    1       -4.382  -3.860  -0.492  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1       -4.062  -3.465   0.841  0.00  0.00    +0.162 C 
ATOM     30  C   LIG    1       -2.796  -2.624   0.868  0.00  0.00    +0.055 C 
ENDBRANCH  11  25
TORSDOF 3