REMARK  Name = BDB015342
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.176  -1.062  -2.521  0.00  0.00    +0.077 S 
ATOM      2  O   LIG    1       -0.204  -1.769  -3.730  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.934   0.167  -2.619  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1       -3.681  -0.052  -0.239  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1       -2.457   0.551   0.101  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.284   0.247  -0.594  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -1.323  -0.684  -1.633  0.00  0.00    +0.109 A 
ATOM      8  C   LIG    1       -2.528  -1.282  -2.006  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -3.696  -0.968  -1.306  0.00  0.00    +0.010 A 
BRANCH   4  13
ATOM     10  C   LIG    1       -8.439   1.554  -0.221  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -7.243   1.031   0.517  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1       -6.060   0.729  -0.175  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.913   0.270   0.498  0.00  0.00    -0.018 A 
ATOM     14  C   LIG    1       -4.978   0.132   1.893  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -6.145   0.443   2.593  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -7.271   0.896   1.908  0.00  0.00    +0.003 A 
ENDBRANCH   4  13
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  N   LIG    1        0.942  -2.172  -1.497  0.00  0.00    -0.172 N 
ATOM     18  C   LIG    1        1.379  -1.881  -0.189  0.00  0.00    +0.201 C 
ATOM     19  N   LIG    1        1.009  -2.742   0.707  0.00  0.00    -0.253 NA
ATOM     20  C   LIG    1        0.186  -3.758   0.013  0.00  0.00    +0.166 C 
ATOM     21  C   LIG    1        0.354  -3.525  -1.483  0.00  0.00    +0.158 C 
BRANCH  18  22
ATOM     22  N   LIG    1        2.150  -0.776   0.042  0.00  0.00    -0.300 N 
ATOM     23  C   LIG    1        2.416  -0.412   1.448  0.00  0.00    +0.123 C 
ATOM     24  C   LIG    1        3.359   0.801   1.549  0.00  0.00    +0.103 C 
ATOM     25  N   LIG    1        4.692   0.539   0.967  0.00  0.00    -0.296 NA
ATOM     26  C   LIG    1        4.603  -0.347  -0.211  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1        3.218  -0.380  -0.899  0.00  0.00    +0.123 C 
BRANCH  25  28
ATOM     28  C   LIG    1        5.421   1.806   0.833  0.00  0.00    +0.057 C 
ATOM     29  C   LIG    1        6.901   1.592   0.447  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1        6.753   2.845  -0.449  0.00  0.00    +0.003 C 
ATOM     31  C   LIG    1        5.235   2.548  -0.507  0.00  0.00    +0.019 C 
ENDBRANCH  25  28
ENDBRANCH  18  22
ENDBRANCH   1  17
TORSDOF 5