REMARK  Name = BDB029542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.792   0.777   2.157  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.557  -0.106   1.335  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1        0.261  -0.501   1.010  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        0.026  -1.238  -0.227  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1        1.021  -2.380  -0.399  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        2.425  -1.875  -0.224  0.00  0.00    -0.034 A 
ATOM      7  C   LIG    1        3.499  -2.503  -0.860  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        4.805  -2.041  -0.662  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        5.069  -0.969   0.197  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        3.988  -0.334   0.819  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1        2.677  -0.788   0.624  0.00  0.00    +0.042 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1        6.366  -0.438   0.371  0.00  0.00    -0.337 N 
ATOM     13  H   LIG    1        6.451   0.045   1.263  0.00  0.00    +0.147 HD
BRANCH  12  14
ATOM     14  C   LIG    1        7.590  -1.053  -0.069  0.00  0.00    +0.122 C 
ATOM     15  C   LIG    1        8.837  -0.191   0.177  0.00  0.00    +0.184 C 
ATOM     16  O   LIG    1        9.246  -0.328  -1.209  0.00  0.00    -0.376 OA
ATOM     17  C   LIG    1        7.922  -0.817  -1.550  0.00  0.00    +0.184 C 
ENDBRANCH  12  14
ENDBRANCH   9  12
BRANCH   3  18
ATOM     18  C   LIG    1       -0.876   0.218   1.606  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.065   1.635   1.022  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -0.205   2.578   1.683  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        0.628   2.106   1.908  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.516   2.135   1.197  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.534   1.321   0.504  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.877   1.666   1.020  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -6.006   0.986   0.275  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.818   0.495  -1.029  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -6.888  -0.101  -1.711  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -8.144  -0.186  -1.112  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -8.340   0.318   0.172  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.453   0.554  -1.662  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -7.278   0.903   0.862  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.511   1.538  -0.953  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 7