REMARK  Name = BDB046091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.111  -0.639   0.034  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -0.816   0.374   0.241  0.00  0.00    -0.012 A 
ATOM      3  C   LIG    1       -0.534   1.817   0.501  0.00  0.00    +0.056 C 
ATOM      4  C   LIG    1       -1.543   2.427   1.470  0.00  0.00    +0.109 C 
ATOM      5  N   LIG    1       -2.841   2.658   0.868  0.00  0.00    -0.311 N 
ATOM      6  H   LIG    1       -3.256   3.575   0.985  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -3.770   1.734   0.463  0.00  0.00    +0.245 C 
ATOM      8  C   LIG    1       -3.444   0.294   0.302  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -4.520  -0.612   0.201  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -4.306  -1.974   0.005  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -3.013  -2.482  -0.109  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -1.950  -1.577  -0.015  0.00  0.00    +0.048 A 
ATOM     13  O   LIG    1       -4.912   2.131   0.230  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -2.126  -0.207   0.192  0.00  0.00    +0.016 A 
ATOM     15  N   LIG    1       -0.598  -1.807  -0.108  0.00  0.00    -0.354 N 
ATOM     16  H   LIG    1       -0.185  -2.712  -0.284  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        4.366  -0.560  -0.236  0.00  0.00    +0.059 A 
ATOM     18  C   LIG    1        3.740  -1.421   0.671  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        2.346  -1.441   0.764  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        1.569  -0.610  -0.053  0.00  0.00    -0.001 A 
ATOM     21  C   LIG    1        2.204   0.237  -0.970  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        3.598   0.261  -1.069  0.00  0.00    +0.015 A 
BRANCH  17  24
ATOM     23  O   LIG    1        6.506  -1.591  -0.232  0.00  0.00    -0.245 OA
ATOM     24  C   LIG    1        5.844  -0.572  -0.313  0.00  0.00    +0.337 C 
BRANCH  24  25
ATOM     25  O   LIG    1        6.377   0.662  -0.435  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        5.743   1.393  -0.314  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  17  24
ENDBRANCH   1  20
TORSDOF 3