REMARK  Name = BDB028849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.160   3.132   0.833  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -1.732   1.775   0.535  0.00  0.00    -0.316 N 
ATOM      3  C   LIG    1       -0.369   1.489   0.535  0.00  0.00    +0.273 A 
ATOM      4  O   LIG    1        0.498   2.351   0.689  0.00  0.00    -0.266 OA
ATOM      5  C   LIG    1        0.025   0.048   0.243  0.00  0.00    +0.110 A 
ATOM      6  C   LIG    1       -0.930  -0.831  -0.140  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -2.340  -0.396  -0.223  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -3.356  -1.339  -0.685  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -3.010  -2.607  -0.971  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.647  -3.076  -0.803  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -0.658  -2.253  -0.407  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -2.675   0.855   0.127  0.00  0.00    +0.097 A 
ENDROOT
BRANCH   5  13
ATOM     13  N   LIG    1        1.385  -0.251   0.339  0.00  0.00    -0.249 N 
ATOM     14  C   LIG    1        2.091   0.076   1.494  0.00  0.00    +0.313 C 
ATOM     15  O   LIG    1        1.578   0.310   2.585  0.00  0.00    -0.252 OA
ATOM     16  N   LIG    1        3.456   0.102   1.353  0.00  0.00    -0.240 N 
ATOM     17  H   LIG    1        3.963   0.336   2.194  0.00  0.00    +0.159 HD
ATOM     18  C   LIG    1        4.110   0.384   0.184  0.00  0.00    +0.222 C 
ATOM     19  O   LIG    1        5.285   0.743   0.177  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        3.285   0.311  -1.072  0.00  0.00    +0.115 C 
ATOM     21  C   LIG    1        2.133  -0.645  -0.846  0.00  0.00    +0.124 C 
ENDBRANCH   5  13
TORSDOF 1