REMARK  Name = BDB046098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.432  -0.899   0.155  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -4.222  -0.745   0.325  0.00  0.00    +0.245 C 
ATOM      3  C   LIG    1       -3.567   0.501  -0.149  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -2.171   0.641  -0.320  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -1.678   1.846  -0.828  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -2.499   2.928  -1.165  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -3.873   2.778  -0.988  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -0.312   1.724  -0.919  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1        0.308   2.448  -1.253  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        0.100   0.492  -0.477  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -1.036  -0.203  -0.089  0.00  0.00    -0.012 A 
ATOM     12  C   LIG    1       -1.101  -1.584   0.473  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -2.198  -1.714   1.524  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -4.399   1.586  -0.496  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -3.532  -1.747   0.957  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1       -4.150  -2.491   1.260  0.00  0.00    +0.149 HD
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        1.509   0.121  -0.459  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1        2.187   0.009   0.764  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        3.551  -0.341   0.773  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.195  -0.569  -0.444  0.00  0.00    +0.046 A 
ATOM     21  N   LIG    1        5.502  -0.893  -0.156  0.00  0.00    -0.361 N 
ATOM     22  H   LIG    1        6.204  -1.113  -0.849  0.00  0.00    +0.165 HD
ATOM     23  C   LIG    1        5.706  -0.875   1.199  0.00  0.00    +0.083 A 
ATOM     24  C   LIG    1        3.541  -0.463  -1.676  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        4.516  -0.536   1.800  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        2.186  -0.113  -1.660  0.00  0.00    +0.012 A 
ENDBRANCH  10  17
TORSDOF 1