REMARK  Name = BDB060686
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.881  -1.860  -0.901  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        2.208  -1.695  -0.408  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        2.931  -2.792  -0.855  0.00  0.00    +0.154 A 
ATOM      4  C   LIG    1        4.276  -2.967  -0.571  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        4.852  -1.956   0.201  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        4.079  -0.871   0.633  0.00  0.00    +0.074 A 
ATOM      7  O   LIG    1        2.139  -3.622  -1.581  0.00  0.00    -0.461 OA
ATOM      8  N   LIG    1        2.765  -0.710   0.343  0.00  0.00    -0.243 NA
ATOM      9  C   LIG    1        0.901  -3.055  -1.600  0.00  0.00    +0.206 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -2.619   0.605  -0.399  0.00  0.00    -0.042 A 
ATOM     11  C   LIG    1       -1.602   0.556   0.573  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -0.465  -0.245   0.407  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -0.303  -1.030  -0.737  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -1.305  -0.987  -1.712  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -2.443  -0.184  -1.545  0.00  0.00    +0.005 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -4.877   1.438  -1.338  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1       -3.852   1.499  -0.183  0.00  0.00    -0.013 C 
ATOM     18  C   LIG    1       -3.408   2.971  -0.043  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -4.588   1.066   1.104  0.00  0.00    +0.015 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  C   LIG    1        4.643   0.209   1.440  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        5.825   0.126   2.155  0.00  0.00    +0.076 A 
ATOM     22  S   LIG    1        6.101   1.609   2.969  0.00  0.00    +0.004 S 
ATOM     23  N   LIG    1        4.724   2.356   2.435  0.00  0.00    -0.218 NA
ATOM     24  C   LIG    1        4.062   1.503   1.657  0.00  0.00    +0.130 A 
ENDBRANCH   6  20
TORSDOF 3