REMARK  Name = BDB011530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.441   0.407   1.155  0.00  0.00    +0.197 C 
ATOM      2  C   LIG    1       -1.423   0.541   0.033  0.00  0.00    +0.244 C 
ATOM      3  O   LIG    1       -1.754   1.068  -1.037  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.138   0.032   0.243  0.00  0.00    -0.262 N 
ATOM      5  C   LIG    1        0.325  -0.636   1.447  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -0.479  -1.328   2.380  0.00  0.00    +0.142 A 
ATOM      7  C   LIG    1        0.105  -1.934   3.514  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        1.472  -1.887   3.752  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        2.281  -1.223   2.852  0.00  0.00    +0.002 A 
ATOM     10  O   LIG    1       -1.824  -1.567   2.388  0.00  0.00    -0.488 OA
ATOM     11  C   LIG    1        1.713  -0.611   1.728  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -2.623  -1.085   1.326  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -3.945   2.376   1.100  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1       -3.686   1.064   0.760  0.00  0.00    -0.300 N 
ATOM     15  H   LIG    1       -4.133   0.775  -0.107  0.00  0.00    +0.150 HD
ATOM     16  O   LIG    1       -3.290   2.994   1.934  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1       -5.085   3.013   0.270  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1       -5.659   4.253   0.949  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1       -6.926   1.539   0.988  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1       -6.106   2.006  -0.127  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1       -6.724   2.438  -0.816  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1        0.809   0.247  -0.871  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.358  -1.025  -1.482  0.00  0.00    -0.025 A 
ATOM     24  C   LIG    1        2.692  -1.137  -1.874  0.00  0.00    -0.023 A 
ATOM     25  C   LIG    1        3.802  -0.133  -1.772  0.00  0.00    +0.145 C 
ATOM     26  N   LIG    1        4.959  -0.741  -2.491  0.00  0.00    -0.173 NA
ATOM     27  C   LIG    1        4.651  -2.184  -2.728  0.00  0.00    +0.144 C 
ATOM     28  C   LIG    1        3.187  -2.315  -2.445  0.00  0.00    -0.027 A 
ATOM     29  C   LIG    1        2.369  -3.410  -2.663  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        1.024  -3.307  -2.314  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        0.523  -2.128  -1.738  0.00  0.00    +0.005 A 
BRANCH  26  32
ATOM     32  S   LIG    1        6.499  -0.432  -1.898  0.00  0.00    +0.030 S 
ATOM     33  O   LIG    1        7.438  -1.155  -2.728  0.00  0.00    -0.158 OA
ATOM     34  O   LIG    1        6.472  -0.618  -0.464  0.00  0.00    -0.158 OA
ATOM     35  C   LIG    1        6.682   1.304  -2.246  0.00  0.00    +0.215 C 
ENDBRANCH  26  32
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6