REMARK  Name = BDB053955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.169   0.172  -0.578  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1       -1.259  -0.186   0.237  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -2.580   0.106  -0.171  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -2.756   0.753  -1.396  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -4.106   0.929  -1.581  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -4.519   1.373  -2.388  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -4.816   0.427  -0.520  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -6.199   0.394  -0.285  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -7.342   0.869  -1.140  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -8.482   0.919  -0.113  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -8.177  -0.157   0.940  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -6.685  -0.191   0.893  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -5.796  -0.727   1.786  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -6.010  -1.405   3.062  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -7.085  -1.628   3.580  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -4.776  -1.726   3.531  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -4.613  -2.208   4.399  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -3.779  -1.335   2.689  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1       -2.590  -1.504   2.860  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -4.424  -0.685   1.551  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1       -1.691   1.119  -2.226  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -3.884  -0.106   0.390  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1       -0.394   0.818  -1.797  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  25
ATOM     24  O   LIG    1        1.365  -0.744   0.967  0.00  0.00    -0.292 OA
ATOM     25  C   LIG    1        1.213  -0.158  -0.103  0.00  0.00    +0.164 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.394   0.243  -0.966  0.00  0.00    +0.089 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.721  -0.143  -0.316  0.00  0.00    +0.104 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.903   0.252  -1.183  0.00  0.00    +0.216 C 
ATOM     29  N   LIG    1        6.176   0.007  -0.664  0.00  0.00    -0.301 N 
ATOM     30  C   LIG    1        7.312   0.239  -1.557  0.00  0.00    +0.108 C 
ATOM     31  C   LIG    1        8.587   0.591  -0.798  0.00  0.00    +0.019 C 
ATOM     32  C   LIG    1        8.886  -0.434   0.289  0.00  0.00    +0.003 C 
ATOM     33  C   LIG    1        7.689  -0.573   1.221  0.00  0.00    +0.019 C 
ATOM     34  C   LIG    1        6.416  -0.912   0.452  0.00  0.00    +0.108 C 
ATOM     35  O   LIG    1        4.730   0.776  -2.285  0.00  0.00    -0.276 OA
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 4