REMARK  Name = BDB046103
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.821  -1.199   0.319  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.621  -1.119   0.054  0.00  0.00    +0.245 C 
ATOM      3  C   LIG    1       -2.991   0.216  -0.112  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.595   0.442  -0.096  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -1.134   1.755  -0.207  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -1.982   2.860  -0.346  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -3.355   2.622  -0.369  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1        0.235   1.713  -0.130  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1        0.840   2.522  -0.130  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        0.693   0.420  -0.029  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1       -0.434  -0.394   0.031  0.00  0.00    -0.012 A 
ATOM     12  C   LIG    1       -0.491  -1.875   0.212  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -1.597  -2.501  -0.632  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -3.852   1.327  -0.248  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -2.921  -2.289  -0.081  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1       -3.526  -3.097   0.008  0.00  0.00    +0.149 HD
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        2.133   0.136   0.017  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1        3.011   0.862   0.840  0.00  0.00    +0.126 A 
ATOM     19  C   LIG    1        4.379   0.575   0.869  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        4.891  -0.438   0.060  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        4.041  -1.153  -0.780  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        2.673  -0.864  -0.805  0.00  0.00    +0.013 A 
BRANCH  18  23
ATOM     23  O   LIG    1        2.528   1.880   1.621  0.00  0.00    -0.506 OA
ATOM     24  H   LIG    1        3.210   2.123   2.269  0.00  0.00    +0.292 HD
ENDBRANCH  18  23
ENDBRANCH  10  17
TORSDOF 2