REMARK  Name = BDB057771
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.787   0.878  -4.090  0.00  0.00    +0.028 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.986  -0.257  -3.448  0.00  0.00    +0.097 C 
BRANCH   2   5
ATOM      3  N   LIG    1       -0.715  -0.766  -1.831  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -0.242  -1.660  -1.856  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1       -0.259   0.206  -2.708  0.00  0.00    +0.217 C 
ATOM      6  O   LIG    1       -0.773   1.296  -2.923  0.00  0.00    -0.275 OA
BRANCH   3  10
ATOM      7  C   LIG    1       -3.868  -0.608   1.015  0.00  0.00    -0.043 A 
ATOM      8  C   LIG    1       -3.122  -1.771   0.782  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -2.094  -1.802  -0.167  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -1.778  -0.662  -0.913  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -2.503   0.505  -0.688  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -3.529   0.529   0.267  0.00  0.00    +0.006 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -6.136  -1.527   1.946  0.00  0.00    +0.059 C 
ATOM     14  C   LIG    1       -4.965  -0.574   2.052  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1       -6.342  -0.068   1.688  0.00  0.00    +0.028 C 
BRANCH  13  16
ATOM     16  N   LIG    1       -6.693  -2.112   3.164  0.00  0.00    -0.327 NA
ATOM     17  H   LIG    1       -6.227  -2.991   3.390  0.00  0.00    +0.118 HD
ATOM     18  H   LIG    1       -7.678  -2.340   3.035  0.00  0.00    +0.118 HD
ENDBRANCH  13  16
ENDBRANCH   7  14
ENDBRANCH   3  10
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  C   LIG    1        2.282   1.945  -3.113  0.00  0.00    +0.105 C 
BRANCH  19  20
ATOM     20  N   LIG    1        2.979   1.388  -1.974  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1        3.361   0.452  -2.024  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1        3.330   2.179  -0.903  0.00  0.00    +0.245 C 
ATOM     23  O   LIG    1        3.167   3.388  -0.827  0.00  0.00    -0.270 OA
BRANCH  22  24
ATOM     24  C   LIG    1        3.967   1.441   0.204  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        3.202   0.599   1.051  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1        3.866  -0.142   2.052  0.00  0.00    +0.113 A 
ATOM     27  N   LIG    1        3.189  -0.975   2.877  0.00  0.00    -0.251 NA
ATOM     28  C   LIG    1        1.848  -1.069   2.764  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1        1.111  -0.372   1.835  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        5.258   0.018   2.171  0.00  0.00    +0.143 A 
ATOM     31  C   LIG    1        5.997   0.876   1.351  0.00  0.00    +0.048 A 
ATOM     32  C   LIG    1        1.797   0.466   0.967  0.00  0.00    +0.012 A 
ATOM     33  C   LIG    1        5.346   1.595   0.359  0.00  0.00    +0.017 A 
BRANCH  30  34
ATOM     34  O   LIG    1        5.927  -0.698   3.139  0.00  0.00    -0.505 OA
ATOM     35  H   LIG    1        6.847  -0.397   3.193  0.00  0.00    +0.292 HD
ENDBRANCH  30  34
ENDBRANCH  22  24
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 9