REMARK  Name = BDB015362
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.566  -1.608   2.264  0.00  0.00    +0.077 S 
ATOM      2  O   LIG    1        1.056  -2.523   3.278  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -0.310  -0.521   2.644  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1        4.218   0.314   0.281  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        2.940   0.857   0.094  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        1.827   0.270   0.699  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        1.991  -0.878   1.479  0.00  0.00    +0.109 A 
ATOM      8  C   LIG    1        3.261  -1.423   1.684  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        4.370  -0.830   1.076  0.00  0.00    +0.012 A 
BRANCH   4  12
ATOM     10  C   LIG    1        5.311   3.170   0.817  0.00  0.00    +0.173 C 
ATOM     11  N   LIG    1        5.841   2.199  -0.113  0.00  0.00    -0.267 N 
ATOM     12  C   LIG    1        5.383   0.922  -0.350  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        6.273   0.389  -1.264  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        7.190   1.417  -1.537  0.00  0.00    +0.135 A 
ATOM     15  N   LIG    1        6.927   2.525  -0.844  0.00  0.00    -0.179 NA
ENDBRANCH   4  12
ENDBRANCH   1   7
BRANCH   1  16
ATOM     16  N   LIG    1       -0.109  -2.531   1.019  0.00  0.00    -0.172 N 
ATOM     17  C   LIG    1       -0.608  -2.006  -0.190  0.00  0.00    +0.201 C 
ATOM     18  N   LIG    1       -0.198  -2.621  -1.254  0.00  0.00    -0.253 NA
ATOM     19  C   LIG    1        0.725  -3.689  -0.808  0.00  0.00    +0.166 C 
ATOM     20  C   LIG    1        0.600  -3.787   0.707  0.00  0.00    +0.158 C 
BRANCH  17  21
ATOM     21  N   LIG    1       -1.472  -0.947  -0.167  0.00  0.00    -0.300 N 
ATOM     22  C   LIG    1       -1.806  -0.317  -1.460  0.00  0.00    +0.123 C 
ATOM     23  C   LIG    1       -2.824   0.826  -1.281  0.00  0.00    +0.103 C 
ATOM     24  N   LIG    1       -4.136   0.378  -0.746  0.00  0.00    -0.296 NA
ATOM     25  C   LIG    1       -3.944  -0.796   0.148  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1       -2.561  -0.879   0.829  0.00  0.00    +0.123 C 
BRANCH  24  27
ATOM     27  C   LIG    1       -4.777   1.482   0.004  0.00  0.00    +0.057 C 
ATOM     28  C   LIG    1       -6.298   1.192   0.149  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1       -6.530   1.927  -1.184  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1       -5.185   2.638  -0.952  0.00  0.00    +0.019 C 
ENDBRANCH  24  27
ENDBRANCH  17  21
ENDBRANCH   1  16
TORSDOF 5