REMARK  Name = BDB018901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.169   0.332   2.419  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -3.599  -0.333   1.272  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -2.602  -0.229   1.173  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -4.285  -0.333   0.084  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.657  -0.982  -0.964  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -2.344  -1.615  -0.901  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -1.238  -0.650  -1.248  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -1.189  -0.008  -2.493  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -0.122   0.825  -2.825  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        0.892   1.065  -1.898  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        0.862   0.457  -0.636  0.00  0.00    -0.016 A 
ATOM     12  O   LIG    1       -2.129  -0.216  -3.469  0.00  0.00    -0.490 OA
ATOM     13  C   LIG    1       -3.427   0.264  -3.080  0.00  0.00    +0.248 C 
ATOM     14  C   LIG    1       -0.203  -0.408  -0.329  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -4.202  -0.805  -2.309  0.00  0.00    +0.150 C 
ATOM     16  O   LIG    1       -5.384   0.204  -0.029  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        1.925   0.703   0.340  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1        3.041  -0.168   0.351  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1        3.453  -1.306  -0.385  0.00  0.00    +0.143 A 
ATOM     20  N   LIG    1        4.626  -1.794   0.022  0.00  0.00    -0.179 NA
ATOM     21  N   LIG    1        4.980  -0.963   1.022  0.00  0.00    -0.267 N 
ATOM     22  C   LIG    1        6.226  -1.178   1.718  0.00  0.00    +0.173 C 
ATOM     23  C   LIG    1        4.067   0.034   1.271  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1        4.049   1.079   2.201  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        2.945   1.937   2.185  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        1.889   1.766   1.276  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        0.729   2.728   1.311  0.00  0.00    +0.044 C 
ENDBRANCH  11  17
TORSDOF 1