REMARK  Name = BDB046095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.904  -3.365   0.164  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.265  -2.326  -0.004  0.00  0.00    +0.245 C 
ATOM      3  C   LIG    1        0.979  -1.025  -0.047  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.340   0.226   0.107  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1        1.123   1.385   0.102  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        2.513   1.367  -0.058  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        3.131   0.126  -0.210  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1        0.275   2.454   0.282  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1        0.581   3.414   0.321  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -1.020   2.023   0.390  0.00  0.00    +0.194 A 
ATOM     11  C   LIG    1       -1.015   0.649   0.282  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -2.202  -0.250   0.316  0.00  0.00    +0.060 C 
ATOM     13  C   LIG    1       -2.037  -1.434  -0.630  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        2.380  -1.048  -0.200  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -1.095  -2.428  -0.148  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1       -1.399  -3.394  -0.148  0.00  0.00    +0.149 HD
ENDROOT
BRANCH  10  17
ATOM     17  O   LIG    1       -2.039   2.856   0.559  0.00  0.00    -0.493 OA
ATOM     18  H   LIG    1       -1.717   3.771   0.622  0.00  0.00    +0.294 HD
ENDBRANCH  10  17
TORSDOF 1