REMARK  Name = BDB016161
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.901  -0.312  -1.742  0.00  0.00    +0.036 A 
ATOM      2  C   LIG    1       -1.359   0.807  -1.066  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        0.032   1.010  -1.065  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1        0.908   0.110  -1.694  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1        0.362  -0.994  -2.356  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.020  -1.196  -2.385  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.370   0.331  -1.652  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        3.121   0.273  -0.427  0.00  0.00    +0.057 A 
ATOM      9  N   LIG    1        2.400  -0.030   0.749  0.00  0.00    -0.339 N 
ATOM     10  H   LIG    1        1.589  -0.604   0.520  0.00  0.00    +0.146 HD
ATOM     11  C   LIG    1        3.100  -0.525   1.924  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        3.851   0.623   2.560  0.00  0.00    +0.118 C 
ATOM     13  C   LIG    1        5.212   0.733   1.957  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        5.388   0.726   0.613  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1        6.361   0.894   0.386  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1        6.205   0.883   2.675  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        2.054  -1.070   2.902  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1        4.496   0.609  -0.475  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        5.106   0.862  -1.721  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        4.382   0.856  -2.907  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        3.020   0.608  -2.869  0.00  0.00    +0.010 A 
ENDBRANCH   4   7
BRANCH   2  22
ATOM     22  C   LIG    1       -2.234   1.769  -0.323  0.00  0.00    +0.044 C 
ATOM     23  N   LIG    1       -3.525   1.778  -0.450  0.00  0.00    -0.303 NA
ATOM     24  H   LIG    1       -3.933   2.525   0.124  0.00  0.00    +0.186 HD
BRANCH  22  25
ATOM     25  C   LIG    1       -1.635   2.770   0.605  0.00  0.00    +0.038 C 
ATOM     26  C   LIG    1       -0.894   2.317   1.844  0.00  0.00    +0.010 C 
ATOM     27  C   LIG    1       -2.223   2.990   1.983  0.00  0.00    +0.010 C 
ENDBRANCH  22  25
ENDBRANCH   2  22
BRANCH   1  28
ATOM     28  N   LIG    1       -3.290  -0.548  -1.809  0.00  0.00    -0.341 N 
ATOM     29  H   LIG    1       -3.772   0.257  -1.368  0.00  0.00    +0.146 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -3.788  -1.823  -1.271  0.00  0.00    +0.067 C 
ATOM     31  C   LIG    1       -5.213  -2.011  -1.800  0.00  0.00    +0.028 C 
BRANCH  30  33
ATOM     32  C   LIG    1       -4.170  -3.125   0.900  0.00  0.00    +0.005 C 
ATOM     33  C   LIG    1       -3.742  -1.808   0.269  0.00  0.00    +0.018 C 
ENDBRANCH  30  33
ENDBRANCH  28  30
ENDBRANCH   1  28
TORSDOF 6