REMARK  Name = BDB054222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.866   0.776   0.333  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1       -3.841   0.134  -0.452  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -3.496  -0.951  -1.278  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -2.159  -1.360  -1.305  0.00  0.00    +0.050 A 
ATOM      5  N   LIG    1       -1.565  -2.389  -1.997  0.00  0.00    -0.339 N 
ATOM      6  H   LIG    1       -2.033  -3.034  -2.616  0.00  0.00    +0.167 HD
ATOM      7  C   LIG    1       -0.230  -2.437  -1.722  0.00  0.00    +0.144 A 
ATOM      8  C   LIG    1        0.076  -1.408  -0.848  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        1.430  -1.287  -0.474  0.00  0.00    +0.137 A 
ATOM     10  N   LIG    1        2.299  -2.209  -0.967  0.00  0.00    -0.217 NA
ATOM     11  C   LIG    1        1.867  -3.176  -1.804  0.00  0.00    +0.130 A 
ATOM     12  C   LIG    1        2.902  -4.120  -2.334  0.00  0.00    +0.088 C 
ATOM     13  N   LIG    1        0.608  -3.343  -2.240  0.00  0.00    -0.215 NA
ATOM     14  C   LIG    1       -1.159  -0.734  -0.558  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1       -1.530   0.344   0.281  0.00  0.00    +0.057 A 
ENDROOT
BRANCH   2  16
ATOM     16  C   LIG    1       -5.232   0.551  -0.419  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -5.922   1.073  -1.492  0.00  0.00    +0.142 A 
ATOM     18  C   LIG    1       -5.582   1.387  -2.892  0.00  0.00    +0.090 C 
ATOM     19  O   LIG    1       -7.199   1.345  -1.111  0.00  0.00    -0.359 OA
ATOM     20  N   LIG    1       -7.368   1.018   0.221  0.00  0.00    -0.083 NA
ATOM     21  C   LIG    1       -6.183   0.550   0.635  0.00  0.00    +0.089 A 
ATOM     22  C   LIG    1       -6.010   0.112   2.038  0.00  0.00    +0.070 C 
ENDBRANCH   2  16
BRANCH   1  24
ATOM     23  C   LIG    1       -2.354   2.480   1.939  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1       -3.303   1.818   1.115  0.00  0.00    -0.494 OA
ENDBRANCH   1  24
BRANCH   9  25
ATOM     25  N   LIG    1        1.882  -0.229   0.348  0.00  0.00    -0.284 N 
ATOM     26  H   LIG    1        1.308   0.588   0.163  0.00  0.00    +0.155 HD
BRANCH  25  27
ATOM     27  C   LIG    1        3.181   0.003   0.677  0.00  0.00    +0.122 A 
ATOM     28  N   LIG    1        4.054  -0.923   1.209  0.00  0.00    -0.253 N 
ATOM     29  C   LIG    1        3.788  -2.276   1.637  0.00  0.00    +0.174 C 
ATOM     30  N   LIG    1        5.285  -0.414   1.452  0.00  0.00    -0.175 NA
ATOM     31  C   LIG    1        5.175   0.866   1.098  0.00  0.00    +0.068 A 
ATOM     32  C   LIG    1        3.886   1.187   0.636  0.00  0.00    +0.068 A 
BRANCH  31  33
ATOM     33  C   LIG    1        6.376   1.846   1.221  0.00  0.00    +0.040 C 
ATOM     34  C   LIG    1        6.575   2.939   0.203  0.00  0.00    +0.010 C 
ATOM     35  C   LIG    1        6.152   3.286   1.603  0.00  0.00    +0.010 C 
ENDBRANCH  31  33
ENDBRANCH  25  27
ENDBRANCH   9  25
TORSDOF 5