REMARK  Name = BDB029713
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.732  -0.630  -1.196  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        5.657  -0.164  -0.870  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        4.688  -0.835  -0.164  0.00  0.00    -0.284 N 
ATOM      4  H   LIG    1        4.803  -1.812   0.078  0.00  0.00    +0.151 HD
ATOM      5  C   LIG    1        3.499  -0.038   0.022  0.00  0.00    +0.129 C 
ATOM      6  C   LIG    1        2.259  -0.574  -0.687  0.00  0.00    +0.143 C 
ATOM      7  N   LIG    1        1.140  -0.207   0.171  0.00  0.00    -0.298 N 
ATOM      8  C   LIG    1       -0.159  -0.389  -0.269  0.00  0.00    +0.223 C 
ATOM      9  O   LIG    1       -0.375  -0.957  -1.341  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        1.597   0.460   1.380  0.00  0.00    +0.110 C 
ATOM     11  C   LIG    1        3.079   0.117   1.477  0.00  0.00    +0.056 C 
ATOM     12  C   LIG    1        3.974   1.282  -0.600  0.00  0.00    +0.246 C 
ATOM     13  O   LIG    1        3.358   2.336  -0.625  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        5.213   1.088  -1.126  0.00  0.00    -0.238 N 
ATOM     15  H   LIG    1        5.757   1.792  -1.595  0.00  0.00    +0.159 HD
ENDROOT
BRANCH   8  16
ATOM     16  C   LIG    1       -1.293   0.181   0.602  0.00  0.00    +0.105 C 
ATOM     17  C   LIG    1       -2.571  -0.641   0.509  0.00  0.00    -0.032 A 
ATOM     18  C   LIG    1       -3.718  -0.154  -0.146  0.00  0.00    -0.043 A 
ATOM     19  C   LIG    1       -4.874  -0.949  -0.192  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -4.891  -2.217   0.386  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.755  -2.706   1.022  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.760   1.224  -0.755  0.00  0.00    +0.035 C 
ATOM     23  C   LIG    1       -2.377   1.825  -0.986  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -2.603  -1.923   1.085  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -1.508   1.664   0.257  0.00  0.00    +0.018 C 
ENDBRANCH   8  16
TORSDOF 1