REMARK  Name = BDB063946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.854  -1.783  -0.602  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        0.778  -2.956   0.060  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        0.094  -3.678  -0.071  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.888  -3.102   0.826  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        2.206  -4.037   1.533  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.623  -1.834   0.562  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.793  -1.558   1.151  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.919  -1.082  -0.354  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.610  -0.348   0.957  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.037   0.918   0.761  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.882   2.033   0.618  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.272   1.921   0.679  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.974   3.105   0.523  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.127   4.093   0.345  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.836   0.649   0.894  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.465   3.686   0.357  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        6.002  -0.468   1.036  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.099  -1.393  -1.493  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1        0.290  -0.591  -1.994  0.00  0.00    +0.149 HD
BRANCH  18  24
ATOM     20  C   LIG    1       -2.990   0.442   0.245  0.00  0.00    +0.116 C 
ATOM     21  C   LIG    1       -3.726  -0.815   0.773  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1       -3.707  -1.942  -0.270  0.00  0.00    -0.005 C 
ATOM     23  C   LIG    1       -2.246  -2.309  -0.581  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1       -1.486  -1.078  -1.118  0.00  0.00    +0.039 C 
ATOM     25  C   LIG    1       -2.212  -0.582  -2.397  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1       -3.675  -0.218  -2.096  0.00  0.00    -0.005 C 
ATOM     27  C   LIG    1       -4.399  -1.457  -1.551  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -1.528   0.047  -0.061  0.00  0.00    +0.073 C 
ATOM     29  C   LIG    1       -3.709   0.900  -1.042  0.00  0.00    +0.051 C 
BRANCH  20  30
ATOM     30  O   LIG    1       -3.084   1.417   1.306  0.00  0.00    -0.458 OA
BRANCH  30  32
ATOM     31  C   LIG    1       -2.764   3.459   2.399  0.00  0.00    +0.136 C 
ATOM     32  C   LIG    1       -2.535   2.652   1.157  0.00  0.00    +0.304 C 
ATOM     33  O   LIG    1       -1.942   3.063   0.172  0.00  0.00    -0.251 OA
ENDBRANCH  30  32
ENDBRANCH  20  30
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 5