REMARK  Name = BDB018292
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.236   2.358   0.404  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1       -0.014   2.718  -0.361  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        0.128   3.990  -0.787  0.00  0.00    +0.099 A 
ATOM      4  N   LIG    1       -0.795   4.983  -0.516  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -0.528   6.333  -0.985  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -1.914   4.745   0.265  0.00  0.00    +0.253 A 
ATOM      7  O   LIG    1       -2.741   5.593   0.589  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.103   3.344   0.708  0.00  0.00    +0.094 A 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1       -2.707  -0.958   0.129  0.00  0.00    +0.094 C 
ATOM     10  C   LIG    1       -1.555  -0.036  -0.287  0.00  0.00    +0.118 C 
ATOM     11  N   LIG    1       -1.468   1.014   0.756  0.00  0.00    -0.329 N 
ATOM     12  C   LIG    1       -2.288   0.584   1.896  0.00  0.00    +0.106 C 
ATOM     13  C   LIG    1       -3.415  -0.202   1.248  0.00  0.00    +0.033 C 
BRANCH   9  17
ATOM     14  C   LIG    1       -1.234  -4.430  -0.264  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -1.680  -3.075  -0.469  0.00  0.00    -0.318 N 
ATOM     16  H   LIG    1       -1.772  -2.748  -1.421  0.00  0.00    +0.148 HD
ATOM     17  C   LIG    1       -2.190  -2.320   0.567  0.00  0.00    +0.217 C 
ATOM     18  O   LIG    1       -2.248  -2.720   1.725  0.00  0.00    -0.275 OA
ENDBRANCH   9  17
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  C   LIG    1        1.045   1.783  -0.611  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        1.730   1.054   0.335  0.00  0.00    +0.117 A 
ATOM     21  N   LIG    1        2.660   0.323  -0.350  0.00  0.00    -0.267 N 
ATOM     22  N   LIG    1        2.645   0.555  -1.683  0.00  0.00    -0.179 NA
ATOM     23  C   LIG    1        1.653   1.438  -1.835  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1        3.672  -0.546   0.232  0.00  0.00    +0.178 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.203  -1.975   0.328  0.00  0.00    -0.026 A 
ATOM     26  C   LIG    1        3.437  -2.869  -0.726  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        3.028  -4.200  -0.631  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        2.372  -4.647   0.514  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        2.112  -3.761   1.558  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        2.523  -2.431   1.466  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   2  19
TORSDOF 5