REMARK  Name = BDB003222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.371  -3.127  -0.127  0.00  0.00    +0.119 C 
ATOM      2  C   LIG    1        1.369  -4.266   0.013  0.00  0.00    +0.202 C 
ATOM      3  O   LIG    1        1.607  -5.465   0.008  0.00  0.00    -0.286 OA
ATOM      4  C   LIG    1       -0.004  -3.777   0.167  0.00  0.00    +0.042 C 
ATOM      5  C   LIG    1       -0.384  -2.638   0.199  0.00  0.00    +0.003 C 
ATOM      6  C   LIG    1        0.419  -1.440   0.079  0.00  0.00    +0.000 C 
ATOM      7  C   LIG    1       -0.036  -0.162   0.173  0.00  0.00    -0.002 C 
ATOM      8  C   LIG    1        1.792  -1.936  -0.084  0.00  0.00    +0.010 C 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -1.514   0.063   0.459  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1       -2.568  -0.596  -0.200  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -3.944  -0.487   0.204  0.00  0.00    +0.110 A 
ATOM     12  C   LIG    1       -4.324   0.361   1.295  0.00  0.00    +0.193 A 
ATOM     13  O   LIG    1       -5.511   0.521   1.757  0.00  0.00    -0.287 OA
ATOM     14  C   LIG    1       -3.237   1.061   1.874  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1       -1.886   0.927   1.485  0.00  0.00    +0.012 A 
BRANCH  11  16
ATOM     16  C   LIG    1       -4.930  -1.355  -0.589  0.00  0.00    +0.390 C 
ATOM     17  O   LIG    1       -5.409  -0.890  -1.687  0.00  0.00    -0.240 OA
ATOM     18  O   LIG    1       -5.116  -2.568  -0.206  0.00  0.00    -0.240 OA
ENDBRANCH  11  16
ENDBRANCH   7   9
BRANCH   7  19
ATOM     19  C   LIG    1        0.964   0.972   0.181  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1        0.910   2.047  -0.719  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        1.840   3.147  -0.675  0.00  0.00    +0.110 A 
ATOM     22  C   LIG    1        2.877   3.200   0.318  0.00  0.00    +0.193 A 
ATOM     23  O   LIG    1        3.762   4.121   0.450  0.00  0.00    -0.287 OA
ATOM     24  C   LIG    1        2.875   2.098   1.205  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1        1.962   1.026   1.154  0.00  0.00    +0.012 A 
BRANCH  21  26
ATOM     26  C   LIG    1        1.651   4.219  -1.759  0.00  0.00    +0.390 C 
ATOM     27  O   LIG    1        0.995   5.286  -1.471  0.00  0.00    -0.240 OA
ATOM     28  O   LIG    1        2.046   3.942  -2.951  0.00  0.00    -0.240 OA
ENDBRANCH  21  26
ENDBRANCH   7  19
BRANCH   1  30
ATOM     29  O   LIG    1        4.283  -3.512   1.181  0.00  0.00    -0.240 OA
ATOM     30  C   LIG    1        3.823  -3.448  -0.001  0.00  0.00    +0.391 C 
ATOM     31  O   LIG    1        4.437  -3.699  -1.083  0.00  0.00    -0.240 OA
ENDBRANCH   1  30
TORSDOF 5