REMARK  Name = BDB054891
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.623  -0.676   0.177  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        0.087   0.585  -0.083  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -1.296   0.808   0.000  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.164  -0.227   0.340  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -1.629  -1.494   0.592  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.249  -1.717   0.510  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1        4.243  -0.797  -0.205  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1        4.150  -1.772  -0.444  0.00  0.00    +0.156 HD
ATOM      9  C   LIG    1        3.055  -0.095  -0.051  0.00  0.00    +0.308 C 
ATOM     10  N   LIG    1        1.998  -0.983   0.103  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        2.253  -1.928   0.340  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1        2.954   1.124  -0.051  0.00  0.00    -0.252 OA
BRANCH   7  17
ATOM     13  C   LIG    1        9.644   1.096  -0.499  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        8.222   0.624  -0.445  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1        7.195   1.504  -0.091  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        5.869   1.061  -0.010  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        5.550  -0.270  -0.276  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        6.581  -1.156  -0.609  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        7.906  -0.715  -0.690  0.00  0.00    +0.005 A 
ENDBRANCH   7  17
ENDBRANCH   1  10
BRANCH   4  20
ATOM     20  N   LIG    1       -3.564  -0.090   0.439  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1       -4.066  -0.934   0.698  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1       -4.316   1.048   0.228  0.00  0.00    +0.249 C 
ATOM     23  O   LIG    1       -3.897   2.161  -0.066  0.00  0.00    -0.270 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -5.778   0.893   0.417  0.00  0.00    +0.051 A 
ATOM     25  C   LIG    1       -6.498  -0.245  -0.003  0.00  0.00    +0.075 A 
ATOM     26  C   LIG    1       -7.861  -0.277   0.254  0.00  0.00    +0.170 A 
ATOM     27  O   LIG    1       -8.383  -1.446  -0.199  0.00  0.00    -0.353 OA
ATOM     28  N   LIG    1       -7.382  -2.204  -0.776  0.00  0.00    -0.062 NA
ATOM     29  C   LIG    1       -8.581   0.741   0.879  0.00  0.00    +0.050 A 
ATOM     30  C   LIG    1       -7.857   1.872   1.260  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -6.269  -1.476  -0.677  0.00  0.00    +0.167 A 
ATOM     32  C   LIG    1       -6.482   1.951   1.032  0.00  0.00    +0.014 A 
BRANCH  31  33
ATOM     33  N   LIG    1       -5.076  -1.882  -1.163  0.00  0.00    -0.340 N 
ATOM     34  H   LIG    1       -4.420  -1.178  -1.498  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1       -5.128  -2.662  -1.815  0.00  0.00    +0.144 HD
ENDBRANCH  31  33
ENDBRANCH  22  24
ENDBRANCH   4  20
TORSDOF 5