REMARK  Name = BDB016355
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.818  -2.209   1.100  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.538  -0.772   1.536  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.681  -0.098   0.583  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.847   0.315   0.995  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -3.056   0.470  -0.633  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -4.376   0.525  -1.141  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -4.604   0.987  -2.454  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -3.568   1.428  -3.266  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -2.271   1.399  -2.783  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -5.561   0.180  -0.461  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -6.414   0.160  -1.007  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.825  -0.059   0.846  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.987  -0.319   1.175  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.993   0.915  -1.490  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -4.752   0.056   1.878  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -0.578   0.856  -1.080  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        0.087  -0.360  -0.912  0.00  0.00    +0.123 A 
ATOM     18  N   LIG    1        1.383  -0.486  -0.536  0.00  0.00    -0.221 NA
ATOM     19  C   LIG    1        2.061   0.660  -0.320  0.00  0.00    +0.215 A 
ATOM     20  C   LIG    1        1.503   1.920  -0.458  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1        0.167   2.017  -0.843  0.00  0.00    +0.015 A 
BRANCH  19  22
ATOM     22  O   LIG    1        3.384   0.618   0.066  0.00  0.00    -0.472 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.892  -0.710   0.172  0.00  0.00    +0.266 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.340  -0.616   0.591  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1        5.688  -0.591   1.948  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        7.026  -0.488   2.334  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        8.026  -0.400   1.367  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.690  -0.410   0.015  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.353  -0.513  -0.373  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  14  16
TORSDOF 4