REMARK  Name = BDB044926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.162  -1.765  -0.883  0.00  0.00    +0.090 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1        4.929   0.537   1.618  0.00  0.00    +0.001 A 
ATOM      3  C   LIG    1        4.438  -0.646   1.054  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        3.108  -0.689   0.593  0.00  0.00    -0.000 A 
ATOM      5  C   LIG    1        2.319   0.454   0.712  0.00  0.00    +0.047 A 
ATOM      6  N   LIG    1        1.083   0.148   0.192  0.00  0.00    -0.358 N 
ATOM      7  H   LIG    1        0.299   0.787   0.163  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1        1.052  -1.154  -0.252  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        2.794   1.645   1.273  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1        2.302  -1.691  -0.013  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1        4.117   1.665   1.724  0.00  0.00    +0.002 A 
ENDBRANCH   1   8
BRANCH   1  12
ATOM     12  C   LIG    1       -1.449  -1.261  -0.305  0.00  0.00    -0.017 A 
ATOM     13  C   LIG    1       -2.253  -0.185  -0.806  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -3.346  -0.045   0.050  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1       -4.337   0.926  -0.137  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -4.206   1.782  -1.235  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -3.127   1.668  -2.108  0.00  0.00    +0.001 A 
ATOM     18  N   LIG    1       -3.220  -1.003   1.028  0.00  0.00    -0.360 N 
ATOM     19  H   LIG    1       -3.873  -1.137   1.788  0.00  0.00    +0.165 HD
ATOM     20  C   LIG    1       -2.145   0.692  -1.906  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -2.083  -1.737   0.828  0.00  0.00    +0.087 A 
ENDBRANCH   1  12
TORSDOF 2